Hello: program nVradii.alpha at line 753 in source nVradii.c, Hello: which was compiled on Apr 9 1997 at 16:11:41. [Default Double] -output_format = 0.000000 [New Double ] -method = 4.000000 [Default Double] -surf_thresh = 0.000000 [New String ] -weed_level = s [New String ] -types_file = TS4n.ad [GetEnvAndJoin ] No expansion of TS4n.ad [New String ] -res_file = TS4n.rd [GetEnvAndJoin ] No expansion of TS4n.rd [Default String] -pdb_dir = pdbs/ [New String ] -types_file = TS4n.ad [New String ] -outname = sets_pdbs/TS4n_pdblist.long-low [T/F Option ] -debug = 0 Reading types file TS4n.ad Reading residue definitions file TS4n.rd will analyze the 65 pdb files (longest filename 9 characters) 1snc.pdb 2wrp.pdb 3est.pdb 6xia.pdb 1cpc.pdb 1pgx.pdb 2ccy.pdb 2trx.pdb 3c2c.pdb 1bp2.pdb 1ctf.pdb 1fkf.pdb 1fxd.pdb 1hel.pdb 1ofv.pdb 1rop.pdb 1sgt.pdb 2act.pdb 2alp.pdb 2cyp.pdb 2ltn.pdb 2mhr.pdb 2msb.pdb 3dfr.pdb 3lzm.pdb 4dfr.pdb 5rub.pdb 6ebx.pdb 8dfr.pdb 2hhb.pdb 3cla.pdb 1aaj.pdb 1bbh.pdb 1cmb.pdb 1gd1.pdb 1lmb.pdb 1sar.pdb 1ubq.pdb 2apr.pdb 2aza.pdb 2cdv.pdb 2fcr.pdb 2por.pdb 2zta.pdb 3app.pdb 3sgb.pdb 8fab.pdb 9wga.pdb 5tim.pdb 1hne.pdb 1omd.pdb 1ake.pdb 1dfn.pdb 1gpr.pdb 1pk4.pdb 1rms.pdb 2fb4.pdb 2fx2.pdb 2gbp.pdb 3bcl.pdb 3fxn.pdb 3rp2.pdb 4enl.pdb 7aat.pdb 1dr1.pdb Weed -- Protein Surface Atoms above 0.000000. Weed -- Don't have entry for . open_and_read_pdb(): Trying to read pdbs/1snc.pdb open_and_read_pdb(): Finished reading pdbs/1snc.pdb ############========== now at pdbs/1snc.pdb 0 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 0 plot_file= 0 open_and_read_pdb(): Trying to read pdbs/2wrp.pdb open_and_read_pdb(): Finished reading pdbs/2wrp.pdb ############========== now at pdbs/2wrp.pdb 1 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3est.pdb open_and_read_pdb(): Finished reading pdbs/3est.pdb ############========== now at pdbs/3est.pdb 2 ===========############# ------- 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= 536917840 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/6xia.pdb open_and_read_pdb(): Finished reading pdbs/6xia.pdb ############========== now at pdbs/6xia.pdb 3 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1cpc.pdb open_and_read_pdb(): Finished reading pdbs/1cpc.pdb ############========== now at pdbs/1cpc.pdb 4 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1pgx.pdb open_and_read_pdb(): Finished reading pdbs/1pgx.pdb ############========== now at pdbs/1pgx.pdb 5 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2ccy.pdb open_and_read_pdb(): Finished reading pdbs/2ccy.pdb ############========== now at pdbs/2ccy.pdb 6 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2trx.pdb open_and_read_pdb(): Finished reading pdbs/2trx.pdb ############========== now at pdbs/2trx.pdb 7 ===========############# ------- changing CYS 32 to CSS because of disulfide -------- ------- changing CYS 35 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3c2c.pdb open_and_read_pdb(): Finished reading pdbs/3c2c.pdb ############========== now at pdbs/3c2c.pdb 8 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1bp2.pdb open_and_read_pdb(): Finished reading pdbs/1bp2.pdb ############========== now at pdbs/1bp2.pdb 9 ===========############# ------- 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= 536917840 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/1ctf.pdb open_and_read_pdb(): Finished reading pdbs/1ctf.pdb ############========== now at pdbs/1ctf.pdb 10 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1fkf.pdb open_and_read_pdb(): Finished reading pdbs/1fkf.pdb ############========== now at pdbs/1fkf.pdb 11 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1fxd.pdb open_and_read_pdb(): Finished reading pdbs/1fxd.pdb ############========== now at pdbs/1fxd.pdb 12 ===========############# ------- changing CYS 18 to CSS because of disulfide -------- ------- changing CYS 42 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1hel.pdb open_and_read_pdb(): Finished reading pdbs/1hel.pdb ############========== now at pdbs/1hel.pdb 13 ===========############# ------- 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= 536917840 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/1ofv.pdb open_and_read_pdb(): Finished reading pdbs/1ofv.pdb ############========== now at pdbs/1ofv.pdb 14 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1rop.pdb open_and_read_pdb(): Finished reading pdbs/1rop.pdb ############========== now at pdbs/1rop.pdb 15 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1sgt.pdb open_and_read_pdb(): Finished reading pdbs/1sgt.pdb ############========== now at pdbs/1sgt.pdb 16 ===========############# ------- 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= 536917840 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/2act.pdb open_and_read_pdb(): Finished reading pdbs/2act.pdb ############========== now at pdbs/2act.pdb 17 ===========############# ------- 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= 536917840 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/2alp.pdb open_and_read_pdb(): Finished reading pdbs/2alp.pdb ############========== now at pdbs/2alp.pdb 18 ===========############# ------- 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= 536917840 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/2cyp.pdb open_and_read_pdb(): Finished reading pdbs/2cyp.pdb ############========== now at pdbs/2cyp.pdb 19 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2ltn.pdb open_and_read_pdb(): Finished reading pdbs/2ltn.pdb ############========== now at pdbs/2ltn.pdb 20 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2mhr.pdb open_and_read_pdb(): Finished reading pdbs/2mhr.pdb ############========== now at pdbs/2mhr.pdb 21 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2msb.pdb open_and_read_pdb(): Finished reading pdbs/2msb.pdb ############========== now at pdbs/2msb.pdb 22 ===========############# ------- 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= 536917840 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/3dfr.pdb open_and_read_pdb(): Finished reading pdbs/3dfr.pdb ############========== now at pdbs/3dfr.pdb 23 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3lzm.pdb open_and_read_pdb(): Finished reading pdbs/3lzm.pdb ############========== now at pdbs/3lzm.pdb 24 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/4dfr.pdb open_and_read_pdb(): Finished reading pdbs/4dfr.pdb ############========== now at pdbs/4dfr.pdb 25 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/5rub.pdb open_and_read_pdb(): Finished reading pdbs/5rub.pdb ############========== now at pdbs/5rub.pdb 26 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/6ebx.pdb open_and_read_pdb(): Finished reading pdbs/6ebx.pdb ############========== now at pdbs/6ebx.pdb 27 ===========############# ------- 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= 536917840 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/8dfr.pdb open_and_read_pdb(): Finished reading pdbs/8dfr.pdb ############========== now at pdbs/8dfr.pdb 28 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2hhb.pdb open_and_read_pdb(): Finished reading pdbs/2hhb.pdb ############========== now at pdbs/2hhb.pdb 29 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3cla.pdb open_and_read_pdb(): Finished reading pdbs/3cla.pdb ############========== now at pdbs/3cla.pdb 30 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1aaj.pdb open_and_read_pdb(): Finished reading pdbs/1aaj.pdb ############========== now at pdbs/1aaj.pdb 31 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1bbh.pdb open_and_read_pdb(): Finished reading pdbs/1bbh.pdb ############========== now at pdbs/1bbh.pdb 32 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1cmb.pdb open_and_read_pdb(): Finished reading pdbs/1cmb.pdb ############========== now at pdbs/1cmb.pdb 33 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1gd1.pdb open_and_read_pdb(): Finished reading pdbs/1gd1.pdb ############========== now at pdbs/1gd1.pdb 34 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1lmb.pdb open_and_read_pdb(): Finished reading pdbs/1lmb.pdb ############========== now at pdbs/1lmb.pdb 35 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1sar.pdb open_and_read_pdb(): Finished reading pdbs/1sar.pdb ############========== now at pdbs/1sar.pdb 36 ===========############# ------- changing CYS 7 to CSS because of disulfide -------- ------- changing CYS 96 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1ubq.pdb open_and_read_pdb(): Finished reading pdbs/1ubq.pdb ############========== now at pdbs/1ubq.pdb 37 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2apr.pdb open_and_read_pdb(): Finished reading pdbs/2apr.pdb ############========== now at pdbs/2apr.pdb 38 ===========############# ------- 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= 536917840 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/2aza.pdb open_and_read_pdb(): Finished reading pdbs/2aza.pdb ############========== now at pdbs/2aza.pdb 39 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 26 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2cdv.pdb open_and_read_pdb(): Finished reading pdbs/2cdv.pdb ############========== now at pdbs/2cdv.pdb 40 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2fcr.pdb open_and_read_pdb(): Finished reading pdbs/2fcr.pdb ############========== now at pdbs/2fcr.pdb 41 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2por.pdb open_and_read_pdb(): Finished reading pdbs/2por.pdb ############========== now at pdbs/2por.pdb 42 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2zta.pdb open_and_read_pdb(): Finished reading pdbs/2zta.pdb ############========== now at pdbs/2zta.pdb 43 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3app.pdb open_and_read_pdb(): Finished reading pdbs/3app.pdb ############========== now at pdbs/3app.pdb 44 ===========############# ------- changing CYS 249 to CSS because of disulfide -------- ------- changing CYS 283 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3sgb.pdb open_and_read_pdb(): Finished reading pdbs/3sgb.pdb ############========== now at pdbs/3sgb.pdb 45 ===========############# ------- 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= 536917840 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 32 plot_file= 0 Didn't type the following atom: ATOM 1310 OXT TYR E 242 -10.317 35.858 21.204 1.00 0.00 open_and_read_pdb(): Trying to read pdbs/8fab.pdb open_and_read_pdb(): Finished reading pdbs/8fab.pdb ############========== now at pdbs/8fab.pdb 46 ===========############# ------- 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= 536917840 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/9wga.pdb open_and_read_pdb(): Finished reading pdbs/9wga.pdb ############========== now at pdbs/9wga.pdb 47 ===========############# ------- 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= 536917840 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 36 plot_file= 0 Didn't type the following atom: ATOM 1167 OXT ALA A 171 15.156 -15.053 19.304 1.00 0.00 open_and_read_pdb(): Trying to read pdbs/5tim.pdb open_and_read_pdb(): Finished reading pdbs/5tim.pdb ############========== now at pdbs/5tim.pdb 48 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/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/1hne.pdb ############========== now at pdbs/1hne.pdb 49 ===========############# ------- 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= 536917840 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/1omd.pdb open_and_read_pdb(): Finished reading pdbs/1omd.pdb ############========== now at pdbs/1omd.pdb 50 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1ake.pdb open_and_read_pdb(): Finished reading pdbs/1ake.pdb ############========== now at pdbs/1ake.pdb 51 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1dfn.pdb open_and_read_pdb(): Finished reading pdbs/1dfn.pdb ############========== now at pdbs/1dfn.pdb 52 ===========############# ------- 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= 536917840 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/1gpr.pdb open_and_read_pdb(): Finished reading pdbs/1gpr.pdb ############========== now at pdbs/1gpr.pdb 53 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1pk4.pdb open_and_read_pdb(): Finished reading pdbs/1pk4.pdb ############========== now at pdbs/1pk4.pdb 54 ===========############# ------- 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= 536917840 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/1rms.pdb open_and_read_pdb(): Finished reading pdbs/1rms.pdb ############========== now at pdbs/1rms.pdb 55 ===========############# ------- 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= 536917840 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/2fb4.pdb open_and_read_pdb(): Finished reading pdbs/2fb4.pdb ############========== now at pdbs/2fb4.pdb 56 ===========############# ------- 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= 536917840 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/2fx2.pdb open_and_read_pdb(): Finished reading pdbs/2fx2.pdb ############========== now at pdbs/2fx2.pdb 57 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/2gbp.pdb open_and_read_pdb(): Finished reading pdbs/2gbp.pdb ############========== now at pdbs/2gbp.pdb 58 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3bcl.pdb open_and_read_pdb(): Finished reading pdbs/3bcl.pdb ############========== now at pdbs/3bcl.pdb 59 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3fxn.pdb open_and_read_pdb(): Finished reading pdbs/3fxn.pdb ############========== now at pdbs/3fxn.pdb 60 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/3rp2.pdb open_and_read_pdb(): Finished reading pdbs/3rp2.pdb ############========== now at pdbs/3rp2.pdb 61 ===========############# ------- 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= 536917840 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/4enl.pdb open_and_read_pdb(): Finished reading pdbs/4enl.pdb ############========== now at pdbs/4enl.pdb 62 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/7aat.pdb open_and_read_pdb(): Finished reading pdbs/7aat.pdb ############========== now at pdbs/7aat.pdb 63 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 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/1dr1.pdb open_and_read_pdb(): Finished reading pdbs/1dr1.pdb ############========== now at pdbs/1dr1.pdb 64 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917840 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 40 plot_file= 0 I'm done! 850.26u 1.52s 21:50 65% 0+21k 1691+10io 0pf+0w