Hello: program nVradii.alpha at line 761 in source nVradii.c, Hello: which was compiled on Aug 27 1997 at 15:34:19. [Default Double] -output_format = 0.000000 [New Double ] -method = 4.000000 [Default Double] -surf_thresh = 0.000000 [New String ] -weed_level = c [New String ] -types_file = TS4nH.ad [GetEnvAndJoin ] No expansion of TS4nH.ad [New String ] -res_file = TS4nH.rd [GetEnvAndJoin ] No expansion of TS4nH.rd [New String ] -pdb_dir = pdbs-o/ [New String ] -types_file = TS4nH.ad [New String ] -outname = default-vs-TSN4/TS4nH-c [T/F Option ] -debug = 0 [T/F Option ] -debug1 = 1 Reading types file TS4nH.ad Reading residue definitions file TS4nH.rd will analyze the 106 pdb files (longest filename 9 characters) 1aap.pdb 1bp2.pdb 1ccr.pdb 1cdp.pdb 1cox.pdb 1crn.pdb 1cse.pdb 1ctf.pdb 1fkf.pdb 1gct.pdb 1gd1.pdb 1hne.pdb 1lz1.pdb 1mbd.pdb 1omd.pdb 1paz.pdb 1ppt.pdb 1psg.pdb 1rdg.pdb 1sar.pdb 1sgt.pdb 1snc.pdb 1ubq.pdb 2act.pdb 2alp.pdb 2apr.pdb 2aza.pdb 2cba.pdb 2cyp.pdb 2er7.pdb 2fb4.pdb 2fcr.pdb 2gbp.pdb 2ltn.pdb 2mhr.pdb 2ovo.pdb 2prk.pdb 2rhe.pdb 2sga.pdb 2trx.pdb 2utg.pdb 2wrp.pdb 3app.pdb 3bcl.pdb 3cla.pdb 3dfr.pdb 3ebx.pdb 3est.pdb 3fgf.pdb 3fxn.pdb 3grs.pdb 3lzm.pdb 3rp2.pdb 3sgb.pdb 3tln.pdb 4dfr.pdb 4enl.pdb 4ins.pdb 4ptp.pdb 5cpa.pdb 5p21.pdb 5pti.pdb 5rub.pdb 6rxn.pdb 6xia.pdb 7rsa.pdb 8dfr.pdb 9wga.pdb 1ake.pdb 1dfn.pdb 1lmb.pdb 1pk4.pdb 1rop.pdb 2fx2.pdb 2zta.pdb 4icb.pdb 5tim.pdb 5pal.pdb 9rnt.pdb 8rxn.pdb 1dr1.pdb 1fxd.pdb 1ppn.pdb 1thm.pdb 1lz3.pdb 6ebx.pdb 6rlx.pdb 7aat.pdb 8fab.pdb 1end.pdb 1gpr.pdb 1aaj.pdb 1cpc.pdb 1cmb.pdb 1hel.pdb 2sn3.pdb 2msb.pdb 2por.pdb 2rn2.pdb 1pgx.pdb 1rms.pdb 1plc.pdb 1ofv.pdb 1ifc.pdb 1ezm.pdb 2mcm.pdb Weed -- Doing Statistics Based on change in volume w/ and w/o HETATMS Weed -- ============= THIS IS DEFAULT ================= open_and_read_pdb(): Trying to read pdbs-o/1aap.pdb open_and_read_pdb(): Finished reading pdbs-o/1aap.pdb ############========== now at pdbs-o/1aap.pdb 0 ===========############# ------- changing CYS 5 to CSS because of disulfide -------- ------- changing CYS 14 to CSS because of disulfide -------- ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 38 to CSS because of disulfide -------- ------- changing CYS 51 to CSS because of disulfide -------- ------- changing CYS 55 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 0 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1bp2.pdb open_and_read_pdb(): Finished reading pdbs-o/1bp2.pdb ############========== now at pdbs-o/1bp2.pdb 1 ===========############# ------- changing CYS 11 to CSS because of disulfide -------- ------- changing CYS 27 to CSS because of disulfide -------- ------- changing CYS 29 to CSS because of disulfide -------- ------- changing CYS 44 to CSS because of disulfide -------- ------- changing CYS 45 to CSS because of disulfide -------- ------- changing CYS 51 to CSS because of disulfide -------- ------- changing CYS 61 to CSS because of disulfide -------- ------- changing CYS 77 to CSS because of disulfide -------- ------- changing CYS 84 to CSS because of disulfide -------- ------- changing CYS 91 to CSS because of disulfide -------- ------- changing CYS 96 to CSS because of disulfide -------- ------- changing CYS 98 to CSS because of disulfide -------- ------- changing CYS 105 to CSS because of disulfide -------- ------- changing CYS 123 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ccr.pdb open_and_read_pdb(): Finished reading pdbs-o/1ccr.pdb ############========== now at pdbs-o/1ccr.pdb 2 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1cdp.pdb open_and_read_pdb(): Finished reading pdbs-o/1cdp.pdb ############========== now at pdbs-o/1cdp.pdb 3 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1cox.pdb open_and_read_pdb(): Finished reading pdbs-o/1cox.pdb ############========== now at pdbs-o/1cox.pdb 4 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1crn.pdb open_and_read_pdb(): Finished reading pdbs-o/1crn.pdb ############========== now at pdbs-o/1crn.pdb 5 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 4 to CSS because of disulfide -------- ------- changing CYS 16 to CSS because of disulfide -------- ------- changing CYS 26 to CSS because of disulfide -------- ------- changing CYS 32 to CSS because of disulfide -------- ------- changing CYS 40 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1cse.pdb open_and_read_pdb(): Finished reading pdbs-o/1cse.pdb ############========== now at pdbs-o/1cse.pdb 6 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 38 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ctf.pdb open_and_read_pdb(): Finished reading pdbs-o/1ctf.pdb ############========== now at pdbs-o/1ctf.pdb 7 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1fkf.pdb open_and_read_pdb(): Finished reading pdbs-o/1fkf.pdb ############========== now at pdbs-o/1fkf.pdb 8 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1gct.pdb open_and_read_pdb(): Finished reading pdbs-o/1gct.pdb ############========== now at pdbs-o/1gct.pdb 9 ===========############# ------- changing CYS 1 to CSS because of disulfide -------- ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 122 to CSS because of disulfide -------- ------- changing CYS 136 to CSS because of disulfide -------- ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 182 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 201 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1gd1.pdb open_and_read_pdb(): Finished reading pdbs-o/1gd1.pdb ############========== now at pdbs-o/1gd1.pdb 10 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 40 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1hne.pdb CYS42 / SG CYS58 / SG adding sulpur bridge CYS136 / SG CYS201 / SG adding sulpur bridge CYS168 / SG CYS182 / SG adding sulpur bridge CYS191 / SG CYS220 / SG adding sulpur bridge open_and_read_pdb(): Finished reading pdbs-o/1hne.pdb ############========== now at pdbs-o/1hne.pdb 11 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 136 to CSS because of disulfide -------- ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 182 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 201 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 42 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1lz1.pdb open_and_read_pdb(): Finished reading pdbs-o/1lz1.pdb ############========== now at pdbs-o/1lz1.pdb 12 ===========############# ------- changing CYS 6 to CSS because of disulfide -------- ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 65 to CSS because of disulfide -------- ------- changing CYS 77 to CSS because of disulfide -------- ------- changing CYS 81 to CSS because of disulfide -------- ------- changing CYS 95 to CSS because of disulfide -------- ------- changing CYS 116 to CSS because of disulfide -------- ------- changing CYS 128 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1mbd.pdb open_and_read_pdb(): Finished reading pdbs-o/1mbd.pdb ############========== now at pdbs-o/1mbd.pdb 13 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 16 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1omd.pdb open_and_read_pdb(): Finished reading pdbs-o/1omd.pdb ############========== now at pdbs-o/1omd.pdb 14 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1paz.pdb open_and_read_pdb(): Finished reading pdbs-o/1paz.pdb ############========== now at pdbs-o/1paz.pdb 15 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ppt.pdb open_and_read_pdb(): Finished reading pdbs-o/1ppt.pdb ############========== now at pdbs-o/1ppt.pdb 16 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1psg.pdb open_and_read_pdb(): Finished reading pdbs-o/1psg.pdb ############========== now at pdbs-o/1psg.pdb 17 ===========############# ------- changing CYS 45 to CSS because of disulfide -------- ------- changing CYS 50 to CSS because of disulfide -------- ------- changing CYS 206 to CSS because of disulfide -------- ------- changing CYS 210 to CSS because of disulfide -------- ------- changing CYS 250 to CSS because of disulfide -------- ------- changing CYS 283 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 42 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1rdg.pdb open_and_read_pdb(): Finished reading pdbs-o/1rdg.pdb ############========== now at pdbs-o/1rdg.pdb 18 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1sar.pdb open_and_read_pdb(): Finished reading pdbs-o/1sar.pdb ############========== now at pdbs-o/1sar.pdb 19 ===========############# ------- changing CYS 7 to CSS because of disulfide -------- ------- changing CYS 96 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1sgt.pdb open_and_read_pdb(): Finished reading pdbs-o/1sgt.pdb ############========== now at pdbs-o/1sgt.pdb 20 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 182 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1snc.pdb open_and_read_pdb(): Finished reading pdbs-o/1snc.pdb ############========== now at pdbs-o/1snc.pdb 21 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 8 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ubq.pdb open_and_read_pdb(): Finished reading pdbs-o/1ubq.pdb ############========== now at pdbs-o/1ubq.pdb 22 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2act.pdb open_and_read_pdb(): Finished reading pdbs-o/2act.pdb ############========== now at pdbs-o/2act.pdb 23 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 56 to CSS because of disulfide -------- ------- changing CYS 65 to CSS because of disulfide -------- ------- changing CYS 98 to CSS because of disulfide -------- ------- changing CYS 156 to CSS because of disulfide -------- ------- changing CYS 206 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2alp.pdb open_and_read_pdb(): Finished reading pdbs-o/2alp.pdb ############========== now at pdbs-o/2alp.pdb 24 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 137 to CSS because of disulfide -------- ------- changing CYS 159 to CSS because of disulfide -------- ------- changing CYS 189 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2apr.pdb open_and_read_pdb(): Finished reading pdbs-o/2apr.pdb ############========== now at pdbs-o/2apr.pdb 25 ===========############# ------- changing CYS 48 to CSS because of disulfide -------- ------- changing CYS 51 to CSS because of disulfide -------- ------- changing CYS 252 to CSS because of disulfide -------- ------- changing CYS 285 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2aza.pdb open_and_read_pdb(): Finished reading pdbs-o/2aza.pdb ############========== now at pdbs-o/2aza.pdb 26 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 26 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2cba.pdb open_and_read_pdb(): Finished reading pdbs-o/2cba.pdb ############========== now at pdbs-o/2cba.pdb 27 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2cyp.pdb open_and_read_pdb(): Finished reading pdbs-o/2cyp.pdb ############========== now at pdbs-o/2cyp.pdb 28 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 14 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2er7.pdb open_and_read_pdb(): Finished reading pdbs-o/2er7.pdb ############========== now at pdbs-o/2er7.pdb 29 ===========############# ------- changing CYS 250 to CSS because of disulfide -------- ------- changing CYS 283 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2fb4.pdb open_and_read_pdb(): Finished reading pdbs-o/2fb4.pdb ############========== now at pdbs-o/2fb4.pdb 30 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 87 to CSS because of disulfide -------- ------- changing CYS 136 to CSS because of disulfide -------- ------- changing CYS 195 to CSS because of disulfide -------- ------- changing CYS 213 to CSS because of disulfide -------- ------- changing CYS 96 to CSS because of disulfide -------- ------- changing CYS 101 to CSS because of disulfide -------- ------- changing CYS 104 to CSS because of disulfide -------- ------- changing CYS 145 to CSS because of disulfide -------- ------- changing CYS 201 to CSS because of disulfide -------- ------- changing CYS 221 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2fcr.pdb open_and_read_pdb(): Finished reading pdbs-o/2fcr.pdb ############========== now at pdbs-o/2fcr.pdb 31 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2gbp.pdb open_and_read_pdb(): Finished reading pdbs-o/2gbp.pdb ############========== now at pdbs-o/2gbp.pdb 32 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2ltn.pdb open_and_read_pdb(): Finished reading pdbs-o/2ltn.pdb ############========== now at pdbs-o/2ltn.pdb 33 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2mhr.pdb open_and_read_pdb(): Finished reading pdbs-o/2mhr.pdb ############========== now at pdbs-o/2mhr.pdb 34 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 40 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2ovo.pdb open_and_read_pdb(): Finished reading pdbs-o/2ovo.pdb ############========== now at pdbs-o/2ovo.pdb 35 ===========############# ------- changing CYS 8 to CSS because of disulfide -------- ------- changing CYS 16 to CSS because of disulfide -------- ------- changing CYS 24 to CSS because of disulfide -------- ------- changing CYS 35 to CSS because of disulfide -------- ------- changing CYS 38 to CSS because of disulfide -------- ------- changing CYS 56 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 42 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2prk.pdb open_and_read_pdb(): Finished reading pdbs-o/2prk.pdb ############========== now at pdbs-o/2prk.pdb 36 ===========############# ------- changing CYS 34 to CSS because of disulfide -------- ------- changing CYS 123 to CSS because of disulfide -------- ------- changing CYS 178 to CSS because of disulfide -------- ------- changing CYS 249 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2rhe.pdb open_and_read_pdb(): Finished reading pdbs-o/2rhe.pdb ############========== now at pdbs-o/2rhe.pdb 37 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 89 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2sga.pdb open_and_read_pdb(): Finished reading pdbs-o/2sga.pdb ############========== now at pdbs-o/2sga.pdb 38 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2trx.pdb open_and_read_pdb(): Finished reading pdbs-o/2trx.pdb ############========== now at pdbs-o/2trx.pdb 39 ===========############# ------- changing CYS 32 to CSS because of disulfide -------- ------- changing CYS 35 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2utg.pdb open_and_read_pdb(): Finished reading pdbs-o/2utg.pdb ############========== now at pdbs-o/2utg.pdb 40 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 69 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2wrp.pdb open_and_read_pdb(): Finished reading pdbs-o/2wrp.pdb ############========== now at pdbs-o/2wrp.pdb 41 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3app.pdb open_and_read_pdb(): Finished reading pdbs-o/3app.pdb ############========== now at pdbs-o/3app.pdb 42 ===========############# ------- changing CYS 249 to CSS because of disulfide -------- ------- changing CYS 283 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3bcl.pdb open_and_read_pdb(): Finished reading pdbs-o/3bcl.pdb ############========== now at pdbs-o/3bcl.pdb 43 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3cla.pdb open_and_read_pdb(): Finished reading pdbs-o/3cla.pdb ############========== now at pdbs-o/3cla.pdb 44 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3dfr.pdb open_and_read_pdb(): Finished reading pdbs-o/3dfr.pdb ############========== now at pdbs-o/3dfr.pdb 45 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3ebx.pdb open_and_read_pdb(): Finished reading pdbs-o/3ebx.pdb ############========== now at pdbs-o/3ebx.pdb 46 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 17 to CSS because of disulfide -------- ------- changing CYS 24 to CSS because of disulfide -------- ------- changing CYS 41 to CSS because of disulfide -------- ------- changing CYS 43 to CSS because of disulfide -------- ------- changing CYS 54 to CSS because of disulfide -------- ------- changing CYS 55 to CSS because of disulfide -------- ------- changing CYS 60 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3est.pdb open_and_read_pdb(): Finished reading pdbs-o/3est.pdb ############========== now at pdbs-o/3est.pdb 47 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 136 to CSS because of disulfide -------- ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 182 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 201 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3fgf.pdb open_and_read_pdb(): Finished reading pdbs-o/3fgf.pdb ############========== now at pdbs-o/3fgf.pdb 48 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3fxn.pdb open_and_read_pdb(): Finished reading pdbs-o/3fxn.pdb ############========== now at pdbs-o/3fxn.pdb 49 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3grs.pdb open_and_read_pdb(): Finished reading pdbs-o/3grs.pdb ############========== now at pdbs-o/3grs.pdb 50 ===========############# ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 63 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3lzm.pdb open_and_read_pdb(): Finished reading pdbs-o/3lzm.pdb ############========== now at pdbs-o/3lzm.pdb 51 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 42 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3rp2.pdb open_and_read_pdb(): Finished reading pdbs-o/3rp2.pdb ############========== now at pdbs-o/3rp2.pdb 52 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 136 to CSS because of disulfide -------- ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 182 to CSS because of disulfide -------- ------- changing CYS 201 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3sgb.pdb open_and_read_pdb(): Finished reading pdbs-o/3sgb.pdb ############========== now at pdbs-o/3sgb.pdb 53 ===========############# ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ------- changing CYS 8 to CSS because of disulfide -------- ------- changing CYS 16 to CSS because of disulfide -------- ------- changing CYS 24 to CSS because of disulfide -------- ------- changing CYS 35 to CSS because of disulfide -------- ------- changing CYS 38 to CSS because of disulfide -------- ------- changing CYS 56 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/3tln.pdb open_and_read_pdb(): Finished reading pdbs-o/3tln.pdb ############========== now at pdbs-o/3tln.pdb 54 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 48 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/4dfr.pdb open_and_read_pdb(): Finished reading pdbs-o/4dfr.pdb ############========== now at pdbs-o/4dfr.pdb 55 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/4enl.pdb open_and_read_pdb(): Finished reading pdbs-o/4enl.pdb ############========== now at pdbs-o/4enl.pdb 56 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 14 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/4ins.pdb open_and_read_pdb(): Finished reading pdbs-o/4ins.pdb ############========== now at pdbs-o/4ins.pdb 57 ===========############# ------- changing CYS 6 to CSS because of disulfide -------- ------- changing CYS 7 to CSS because of disulfide -------- ------- changing CYS 11 to CSS because of disulfide -------- ------- changing CYS 20 to CSS because of disulfide -------- ------- changing CYS 19 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/4ptp.pdb open_and_read_pdb(): Finished reading pdbs-o/4ptp.pdb ############========== now at pdbs-o/4ptp.pdb 58 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 42 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 128 to CSS because of disulfide -------- ------- changing CYS 136 to CSS because of disulfide -------- ------- changing CYS 157 to CSS because of disulfide -------- ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 182 to CSS because of disulfide -------- ------- changing CYS 191 to CSS because of disulfide -------- ------- changing CYS 201 to CSS because of disulfide -------- ------- changing CYS 220 to CSS because of disulfide -------- ------- changing CYS 232 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 4 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/5cpa.pdb open_and_read_pdb(): Finished reading pdbs-o/5cpa.pdb ############========== now at pdbs-o/5cpa.pdb 59 ===========############# ------- changing CYS 138 to CSS because of disulfide -------- ------- changing CYS 161 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/5p21.pdb open_and_read_pdb(): Finished reading pdbs-o/5p21.pdb ############========== now at pdbs-o/5p21.pdb 60 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/5pti.pdb open_and_read_pdb(): Finished reading pdbs-o/5pti.pdb ############========== now at pdbs-o/5pti.pdb 61 ===========############# ------- changing CYS 5 to CSS because of disulfide -------- ------- changing CYS 14 to CSS because of disulfide -------- ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 38 to CSS because of disulfide -------- ------- changing CYS 51 to CSS because of disulfide -------- ------- changing CYS 55 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/5rub.pdb open_and_read_pdb(): Finished reading pdbs-o/5rub.pdb ############========== now at pdbs-o/5rub.pdb 62 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 38 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/6rxn.pdb open_and_read_pdb(): Finished reading pdbs-o/6rxn.pdb ############========== now at pdbs-o/6rxn.pdb 63 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 14 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 12 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/6xia.pdb open_and_read_pdb(): Finished reading pdbs-o/6xia.pdb ############========== now at pdbs-o/6xia.pdb 64 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/7rsa.pdb open_and_read_pdb(): Finished reading pdbs-o/7rsa.pdb ############========== now at pdbs-o/7rsa.pdb 65 ===========############# ------- changing CYS 26 to CSS because of disulfide -------- ------- changing CYS 40 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 65 to CSS because of disulfide -------- ------- changing CYS 72 to CSS because of disulfide -------- ------- changing CYS 84 to CSS because of disulfide -------- ------- changing CYS 95 to CSS because of disulfide -------- ------- changing CYS 110 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/8dfr.pdb open_and_read_pdb(): Finished reading pdbs-o/8dfr.pdb ############========== now at pdbs-o/8dfr.pdb 66 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 40 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/9wga.pdb open_and_read_pdb(): Finished reading pdbs-o/9wga.pdb ############========== now at pdbs-o/9wga.pdb 67 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 12 to CSS because of disulfide -------- ------- changing CYS 17 to CSS because of disulfide -------- ------- changing CYS 18 to CSS because of disulfide -------- ------- changing CYS 24 to CSS because of disulfide -------- ------- changing CYS 31 to CSS because of disulfide -------- ------- changing CYS 35 to CSS because of disulfide -------- ------- changing CYS 40 to CSS because of disulfide -------- ------- changing CYS 46 to CSS because of disulfide -------- ------- changing CYS 55 to CSS because of disulfide -------- ------- changing CYS 60 to CSS because of disulfide -------- ------- changing CYS 61 to CSS because of disulfide -------- ------- changing CYS 67 to CSS because of disulfide -------- ------- changing CYS 74 to CSS because of disulfide -------- ------- changing CYS 78 to CSS because of disulfide -------- ------- changing CYS 83 to CSS because of disulfide -------- ------- changing CYS 89 to CSS because of disulfide -------- ------- changing CYS 98 to CSS because of disulfide -------- ------- changing CYS 103 to CSS because of disulfide -------- ------- changing CYS 104 to CSS because of disulfide -------- ------- changing CYS 110 to CSS because of disulfide -------- ------- changing CYS 117 to CSS because of disulfide -------- ------- changing CYS 121 to CSS because of disulfide -------- ------- changing CYS 126 to CSS because of disulfide -------- ------- changing CYS 132 to CSS because of disulfide -------- ------- changing CYS 141 to CSS because of disulfide -------- ------- changing CYS 146 to CSS because of disulfide -------- ------- changing CYS 147 to CSS because of disulfide -------- ------- changing CYS 153 to CSS because of disulfide -------- ------- changing CYS 160 to CSS because of disulfide -------- ------- changing CYS 164 to CSS because of disulfide -------- ------- changing CYS 169 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 38 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 Didn't type the following atom: ATOM 1167 OXT ALA A 171 15.156 -15.053 19.304 1.00 11.36 open_and_read_pdb(): Trying to read pdbs-o/1ake.pdb open_and_read_pdb(): Finished reading pdbs-o/1ake.pdb ############========== now at pdbs-o/1ake.pdb 68 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1dfn.pdb open_and_read_pdb(): Finished reading pdbs-o/1dfn.pdb ############========== now at pdbs-o/1dfn.pdb 69 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 5 to CSS because of disulfide -------- ------- changing CYS 10 to CSS because of disulfide -------- ------- changing CYS 20 to CSS because of disulfide -------- ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 31 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1lmb.pdb open_and_read_pdb(): Finished reading pdbs-o/1lmb.pdb ############========== now at pdbs-o/1lmb.pdb 70 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1pk4.pdb open_and_read_pdb(): Finished reading pdbs-o/1pk4.pdb ############========== now at pdbs-o/1pk4.pdb 71 ===========############# ------- changing CYS 1 to CSS because of disulfide -------- ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 51 to CSS because of disulfide -------- ------- changing CYS 63 to CSS because of disulfide -------- ------- changing CYS 75 to CSS because of disulfide -------- ------- changing CYS 80 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1rop.pdb open_and_read_pdb(): Finished reading pdbs-o/1rop.pdb ############========== now at pdbs-o/1rop.pdb 72 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2fx2.pdb open_and_read_pdb(): Finished reading pdbs-o/2fx2.pdb ############========== now at pdbs-o/2fx2.pdb 73 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2zta.pdb open_and_read_pdb(): Finished reading pdbs-o/2zta.pdb ############========== now at pdbs-o/2zta.pdb 74 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/4icb.pdb open_and_read_pdb(): Finished reading pdbs-o/4icb.pdb ############========== now at pdbs-o/4icb.pdb 75 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/5tim.pdb open_and_read_pdb(): Finished reading pdbs-o/5tim.pdb ############========== now at pdbs-o/5tim.pdb 76 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 40 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/5pal.pdb open_and_read_pdb(): Finished reading pdbs-o/5pal.pdb ############========== now at pdbs-o/5pal.pdb 77 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/9rnt.pdb open_and_read_pdb(): Finished reading pdbs-o/9rnt.pdb ############========== now at pdbs-o/9rnt.pdb 78 ===========############# ------- changing CYS 2 to CSS because of disulfide -------- ------- changing CYS 6 to CSS because of disulfide -------- ------- changing CYS 10 to CSS because of disulfide -------- ------- changing CYS 103 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/8rxn.pdb open_and_read_pdb(): Finished reading pdbs-o/8rxn.pdb ############========== now at pdbs-o/8rxn.pdb 79 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 38 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1dr1.pdb open_and_read_pdb(): Finished reading pdbs-o/1dr1.pdb ############========== now at pdbs-o/1dr1.pdb 80 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1fxd.pdb open_and_read_pdb(): Finished reading pdbs-o/1fxd.pdb ############========== now at pdbs-o/1fxd.pdb 81 ===========############# ------- changing CYS 18 to CSS because of disulfide -------- ------- changing CYS 42 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ppn.pdb open_and_read_pdb(): Finished reading pdbs-o/1ppn.pdb ############========== now at pdbs-o/1ppn.pdb 82 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 56 to CSS because of disulfide -------- ------- changing CYS 63 to CSS because of disulfide -------- ------- changing CYS 95 to CSS because of disulfide -------- ------- changing CYS 153 to CSS because of disulfide -------- ------- changing CYS 200 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1thm.pdb open_and_read_pdb(): Finished reading pdbs-o/1thm.pdb ############========== now at pdbs-o/1thm.pdb 83 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1lz3.pdb open_and_read_pdb(): Finished reading pdbs-o/1lz3.pdb ############========== now at pdbs-o/1lz3.pdb 84 ===========############# ------- changing CYS 6 to CSS because of disulfide -------- ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 64 to CSS because of disulfide -------- ------- changing CYS 76 to CSS because of disulfide -------- ------- changing CYS 80 to CSS because of disulfide -------- ------- changing CYS 94 to CSS because of disulfide -------- ------- changing CYS 115 to CSS because of disulfide -------- ------- changing CYS 127 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/6ebx.pdb open_and_read_pdb(): Finished reading pdbs-o/6ebx.pdb ############========== now at pdbs-o/6ebx.pdb 85 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 17 to CSS because of disulfide -------- ------- changing CYS 24 to CSS because of disulfide -------- ------- changing CYS 41 to CSS because of disulfide -------- ------- changing CYS 43 to CSS because of disulfide -------- ------- changing CYS 54 to CSS because of disulfide -------- ------- changing CYS 55 to CSS because of disulfide -------- ------- changing CYS 60 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/6rlx.pdb open_and_read_pdb(): Finished reading pdbs-o/6rlx.pdb ############========== now at pdbs-o/6rlx.pdb 86 ===========############# ------- changing CYS 6 to CSS because of disulfide -------- ------- changing CYS 7 to CSS because of disulfide -------- ------- changing CYS 11 to CSS because of disulfide -------- ------- changing CYS 20 to CSS because of disulfide -------- ------- changing CYS 19 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/7aat.pdb open_and_read_pdb(): Finished reading pdbs-o/7aat.pdb ############========== now at pdbs-o/7aat.pdb 87 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 40 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/8fab.pdb open_and_read_pdb(): Finished reading pdbs-o/8fab.pdb ############========== now at pdbs-o/8fab.pdb 88 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 87 to CSS because of disulfide -------- ------- changing CYS 134 to CSS because of disulfide -------- ------- changing CYS 193 to CSS because of disulfide -------- ------- changing CYS 96 to CSS because of disulfide -------- ------- changing CYS 148 to CSS because of disulfide -------- ------- changing CYS 204 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1end.pdb open_and_read_pdb(): Finished reading pdbs-o/1end.pdb ############========== now at pdbs-o/1end.pdb 89 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1gpr.pdb open_and_read_pdb(): Finished reading pdbs-o/1gpr.pdb ############========== now at pdbs-o/1gpr.pdb 90 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1aaj.pdb open_and_read_pdb(): Finished reading pdbs-o/1aaj.pdb ############========== now at pdbs-o/1aaj.pdb 91 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1cpc.pdb open_and_read_pdb(): Finished reading pdbs-o/1cpc.pdb ############========== now at pdbs-o/1cpc.pdb 92 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1cmb.pdb open_and_read_pdb(): Finished reading pdbs-o/1cmb.pdb ############========== now at pdbs-o/1cmb.pdb 93 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1hel.pdb open_and_read_pdb(): Finished reading pdbs-o/1hel.pdb ############========== now at pdbs-o/1hel.pdb 94 ===========############# ------- changing CYS 6 to CSS because of disulfide -------- ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 64 to CSS because of disulfide -------- ------- changing CYS 76 to CSS because of disulfide -------- ------- changing CYS 80 to CSS because of disulfide -------- ------- changing CYS 94 to CSS because of disulfide -------- ------- changing CYS 115 to CSS because of disulfide -------- ------- changing CYS 127 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 38 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2sn3.pdb open_and_read_pdb(): Finished reading pdbs-o/2sn3.pdb ############========== now at pdbs-o/2sn3.pdb 95 ===========############# ------- changing CYS 12 to CSS because of disulfide -------- ------- changing CYS 16 to CSS because of disulfide -------- ------- changing CYS 25 to CSS because of disulfide -------- ------- changing CYS 29 to CSS because of disulfide -------- ------- changing CYS 41 to CSS because of disulfide -------- ------- changing CYS 46 to CSS because of disulfide -------- ------- changing CYS 48 to CSS because of disulfide -------- ------- changing CYS 65 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2msb.pdb open_and_read_pdb(): Finished reading pdbs-o/2msb.pdb ############========== now at pdbs-o/2msb.pdb 96 ===========############# ------- changing CYS 128 to CSS because of disulfide -------- ------- changing CYS 195 to CSS because of disulfide -------- ------- changing CYS 209 to CSS because of disulfide -------- ------- changing CYS 217 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2por.pdb open_and_read_pdb(): Finished reading pdbs-o/2por.pdb ############========== now at pdbs-o/2por.pdb 97 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 38 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2rn2.pdb open_and_read_pdb(): Finished reading pdbs-o/2rn2.pdb ############========== now at pdbs-o/2rn2.pdb 98 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1pgx.pdb open_and_read_pdb(): Finished reading pdbs-o/1pgx.pdb ############========== now at pdbs-o/1pgx.pdb 99 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 22 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1rms.pdb open_and_read_pdb(): Finished reading pdbs-o/1rms.pdb ############========== now at pdbs-o/1rms.pdb 100 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 7 to CSS because of disulfide -------- ------- changing CYS 11 to CSS because of disulfide -------- ------- changing CYS 102 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1plc.pdb open_and_read_pdb(): Finished reading pdbs-o/1plc.pdb ############========== now at pdbs-o/1plc.pdb 101 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ofv.pdb open_and_read_pdb(): Finished reading pdbs-o/1ofv.pdb ############========== now at pdbs-o/1ofv.pdb 102 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 26 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ifc.pdb open_and_read_pdb(): Finished reading pdbs-o/1ifc.pdb ############========== now at pdbs-o/1ifc.pdb 103 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 20 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/1ezm.pdb open_and_read_pdb(): Finished reading pdbs-o/1ezm.pdb ############========== now at pdbs-o/1ezm.pdb 104 ===========############# ------- changing CYS 30 to CSS because of disulfide -------- ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 270 to CSS because of disulfide -------- ------- changing CYS 297 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 28 plot_file= 0 open_and_read_pdb(): Trying to read pdbs-o/2mcm.pdb open_and_read_pdb(): Finished reading pdbs-o/2mcm.pdb ############========== now at pdbs-o/2mcm.pdb 105 ===========############# ------- changing CYS 36 to CSS because of disulfide -------- ------- changing CYS 46 to CSS because of disulfide -------- ------- changing CYS 88 to CSS because of disulfide -------- ------- changing CYS 93 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 0 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 18 plot_file= 0 I'm done! 2632.93u 2.72s 1:37:17 45% 0+23k 2380+15io 3pf+0w