Hello: program nVradii.alpha at line 595 in source nVradii.c, Hello: which was compiled on Dec 18 1996 at 18:34:09. [Default Double] -output_format = 0.000000 [New Double ] -method = 4.000000 [Default Double] -surf_thresh = 0.000000 [New String ] -weed_level = sHA [New String ] -types_file = sets_pdbs/1.66_Ox.ad [GetEnvAndJoin ] No expansion of sets_pdbs/1.66_Ox.ad [New String ] -res_file = sets_pdbs/Typeset3.rd [GetEnvAndJoin ] No expansion of sets_pdbs/Typeset3.rd [New String ] -pdb_dir = pdbs/new/ [T/F Option ] -debug = 0 Reading types file sets_pdbs/1.66_Ox.ad Reading residue definitions file sets_pdbs/Typeset3.rd will analyze the 70 pdb files (longest filename 9 characters) 1abe.pdb 1cdh.pdb 1eri.pdb 1fnb.pdb 1lmb.pdb 216l.pdb 256b.pdb 2abk.pdb 2abx.pdb 2ace.pdb 2act.pdb 2ada.pdb 2afg.pdb 2afn.pdb 2ak3.pdb 2alp.pdb 2alr.pdb 2anh.pdb 2apd.pdb 2asi.pdb 2aza.pdb 2baa.pdb 2cab.pdb 2cae.pdb 2ci2.pdb 2cpk.pdb 2cyh.pdb 2dhb.pdb 2dri.pdb 2eip.pdb 2end.pdb 2gmf.pdb 2gn5.pdb 2gsr.pdb 2gyi.pdb 2hft.pdb 2hid.pdb 2hmg.pdb 2hmx.pdb 2mev.pdb 2omf.pdb 2ora.pdb 2pab.pdb 2pel.pdb 2phy.pdb 2ptc.pdb 2r04.pdb 2rsl.pdb 2sod.pdb 2srt.pdb 2tbs.pdb 2tct.pdb 2trt.pdb 2ts1.pdb 2vaa.pdb 2yhx.pdb 351c.pdb 3adk.pdb 3bcl.pdb 3bjl.pdb 3cln.pdb 3gap.pdb 3gbp.pdb 3grs.pdb 3hvt.pdb 3pgk.pdb 4gcr.pdb 5at1.pdb 7fab.pdb newlist Weed -- Protein Surface Atoms above 0.000000. Weed -- HETATMs. Weed -- Atoms touching HETATMs. Weed -- Don't have entry for . open_and_read_pdb(): Trying to read pdbs/new/1abe.pdb open_and_read_pdb(): Finished reading pdbs/new/1abe.pdb ############========== now at pdbs/new/1abe.pdb 0 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/1cdh.pdb open_and_read_pdb(): Finished reading pdbs/new/1cdh.pdb ############========== now at pdbs/new/1cdh.pdb 1 ===========############# ------- changing CYS 16 to CSS because of disulfide -------- ------- changing CYS 84 to CSS because of disulfide -------- ------- changing CYS 130 to CSS because of disulfide -------- ------- changing CYS 159 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/1eri.pdb open_and_read_pdb(): Finished reading pdbs/new/1eri.pdb ############========== now at pdbs/new/1eri.pdb 2 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/1fnb.pdb open_and_read_pdb(): Finished reading pdbs/new/1fnb.pdb ############========== now at pdbs/new/1fnb.pdb 3 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/1lmb.pdb open_and_read_pdb(): Finished reading pdbs/new/1lmb.pdb ############========== now at pdbs/new/1lmb.pdb 4 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/216l.pdb open_and_read_pdb(): Finished reading pdbs/new/216l.pdb ############========== now at pdbs/new/216l.pdb 5 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/256b.pdb open_and_read_pdb(): Finished reading pdbs/new/256b.pdb ############========== now at pdbs/new/256b.pdb 6 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2abk.pdb open_and_read_pdb(): Finished reading pdbs/new/2abk.pdb ############========== now at pdbs/new/2abk.pdb 7 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2abx.pdb open_and_read_pdb(): Finished reading pdbs/new/2abx.pdb ############========== now at pdbs/new/2abx.pdb 8 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 16 to CSS because of disulfide -------- ------- changing CYS 23 to CSS because of disulfide -------- ------- changing CYS 29 to CSS because of disulfide -------- ------- changing CYS 33 to CSS because of disulfide -------- ------- changing CYS 44 to CSS because of disulfide -------- ------- changing CYS 48 to CSS because of disulfide -------- ------- changing CYS 59 to CSS because of disulfide -------- ------- changing CYS 60 to CSS because of disulfide -------- ------- changing CYS 65 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2ace.pdb open_and_read_pdb(): Finished reading pdbs/new/2ace.pdb ############========== now at pdbs/new/2ace.pdb 9 ===========############# ------- changing CYS 67 to CSS because of disulfide -------- ------- changing CYS 94 to CSS because of disulfide -------- ------- changing CYS 254 to CSS because of disulfide -------- ------- changing CYS 265 to CSS because of disulfide -------- ------- changing CYS 402 to CSS because of disulfide -------- ------- changing CYS 521 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 68 plot_file= 0 open_and_read_pdb(): Trying to read pdbs/new/2act.pdb open_and_read_pdb(): Finished reading pdbs/new/2act.pdb ############========== now at pdbs/new/2act.pdb 10 ===========############# ------- 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= 536917200 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/new/2ada.pdb open_and_read_pdb(): Finished reading pdbs/new/2ada.pdb ############========== now at pdbs/new/2ada.pdb 11 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2afg.pdb open_and_read_pdb(): Finished reading pdbs/new/2afg.pdb ############========== now at pdbs/new/2afg.pdb 12 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2afn.pdb open_and_read_pdb(): Finished reading pdbs/new/2afn.pdb ############========== now at pdbs/new/2afn.pdb 13 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2ak3.pdb open_and_read_pdb(): Finished reading pdbs/new/2ak3.pdb ############========== now at pdbs/new/2ak3.pdb 14 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2alp.pdb open_and_read_pdb(): Finished reading pdbs/new/2alp.pdb ############========== now at pdbs/new/2alp.pdb 15 ===========############# ------- 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= 536917200 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/new/2alr.pdb open_and_read_pdb(): Finished reading pdbs/new/2alr.pdb ############========== now at pdbs/new/2alr.pdb 16 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2anh.pdb open_and_read_pdb(): Finished reading pdbs/new/2anh.pdb ############========== now at pdbs/new/2anh.pdb 17 ===========############# ------- changing CYS 168 to CSS because of disulfide -------- ------- changing CYS 178 to CSS because of disulfide -------- ------- changing CYS 286 to CSS because of disulfide -------- ------- changing CYS 336 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2apd.pdb open_and_read_pdb(): Finished reading pdbs/new/2apd.pdb ############========== now at pdbs/new/2apd.pdb 18 ===========############# ------- changing CYS 8 to CSS because of disulfide -------- ------- changing CYS 41 to CSS because of disulfide -------- ------- changing CYS 114 to CSS because of disulfide -------- ------- changing CYS 165 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2asi.pdb open_and_read_pdb(): Finished reading pdbs/new/2asi.pdb ############========== now at pdbs/new/2asi.pdb 19 ===========############# ------- changing CYS 51 to CSS because of disulfide -------- ------- changing CYS 57 to CSS because of disulfide -------- ------- changing CYS 272 to CSS because of disulfide -------- ------- changing CYS 316 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2aza.pdb open_and_read_pdb(): Finished reading pdbs/new/2aza.pdb ############========== now at pdbs/new/2aza.pdb 20 ===========############# ------- changing CYS 3 to CSS because of disulfide -------- ------- changing CYS 26 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2baa.pdb open_and_read_pdb(): Finished reading pdbs/new/2baa.pdb ############========== now at pdbs/new/2baa.pdb 21 ===========############# ------- changing CYS 23 to CSS because of disulfide -------- ------- changing CYS 85 to CSS because of disulfide -------- ------- changing CYS 97 to CSS because of disulfide -------- ------- changing CYS 105 to CSS because of disulfide -------- ------- changing CYS 204 to CSS because of disulfide -------- ------- changing CYS 236 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2cab.pdb open_and_read_pdb(): Finished reading pdbs/new/2cab.pdb ############========== now at pdbs/new/2cab.pdb 22 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2cae.pdb open_and_read_pdb(): Finished reading pdbs/new/2cae.pdb ############========== now at pdbs/new/2cae.pdb 23 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2ci2.pdb open_and_read_pdb(): Finished reading pdbs/new/2ci2.pdb ############========== now at pdbs/new/2ci2.pdb 24 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2cpk.pdb open_and_read_pdb(): Finished reading pdbs/new/2cpk.pdb ############========== now at pdbs/new/2cpk.pdb 25 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 24 plot_file= 0 Didn't type the following atom: ATOM 2653 OXT PHE E 350 5.554 19.264 -13.616 1.00 0.00 open_and_read_pdb(): Trying to read pdbs/new/2cyh.pdb open_and_read_pdb(): Finished reading pdbs/new/2cyh.pdb ############========== now at pdbs/new/2cyh.pdb 26 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2dhb.pdb open_and_read_pdb(): Finished reading pdbs/new/2dhb.pdb ############========== now at pdbs/new/2dhb.pdb 27 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2dri.pdb open_and_read_pdb(): Finished reading pdbs/new/2dri.pdb ############========== now at pdbs/new/2dri.pdb 28 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2eip.pdb open_and_read_pdb(): Finished reading pdbs/new/2eip.pdb ############========== now at pdbs/new/2eip.pdb 29 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2end.pdb open_and_read_pdb(): Finished reading pdbs/new/2end.pdb ############========== now at pdbs/new/2end.pdb 30 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2gmf.pdb open_and_read_pdb(): Finished reading pdbs/new/2gmf.pdb ############========== now at pdbs/new/2gmf.pdb 31 ===========############# ------- changing CYS 54 to CSS because of disulfide -------- ------- changing CYS 88 to CSS because of disulfide -------- ------- changing CYS 96 to CSS because of disulfide -------- ------- changing CYS 121 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2gn5.pdb open_and_read_pdb(): Finished reading pdbs/new/2gn5.pdb ############========== now at pdbs/new/2gn5.pdb 32 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2gsr.pdb open_and_read_pdb(): Finished reading pdbs/new/2gsr.pdb ############========== now at pdbs/new/2gsr.pdb 33 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2gyi.pdb open_and_read_pdb(): Finished reading pdbs/new/2gyi.pdb ############========== now at pdbs/new/2gyi.pdb 34 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2hft.pdb open_and_read_pdb(): Finished reading pdbs/new/2hft.pdb ############========== now at pdbs/new/2hft.pdb 35 ===========############# ------- changing CYS 49 to CSS because of disulfide -------- ------- changing CYS 57 to CSS because of disulfide -------- ------- changing CYS 186 to CSS because of disulfide -------- ------- changing CYS 209 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2hid.pdb open_and_read_pdb(): Finished reading pdbs/new/2hid.pdb ############========== now at pdbs/new/2hid.pdb 36 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2hmg.pdb open_and_read_pdb(): Finished reading pdbs/new/2hmg.pdb ############========== now at pdbs/new/2hmg.pdb 37 ===========############# ------- changing CYS 14 to CSS because of disulfide -------- ------- changing CYS 52 to CSS because of disulfide -------- ------- changing CYS 64 to CSS because of disulfide -------- ------- changing CYS 76 to CSS because of disulfide -------- ------- changing CYS 97 to CSS because of disulfide -------- ------- changing CYS 139 to CSS because of disulfide -------- ------- changing CYS 277 to CSS because of disulfide -------- ------- changing CYS 281 to CSS because of disulfide -------- ------- changing CYS 305 to CSS because of disulfide -------- ------- changing CYS 137 to CSS because of disulfide -------- ------- changing CYS 144 to CSS because of disulfide -------- ------- changing CYS 148 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2hmx.pdb open_and_read_pdb(): Finished reading pdbs/new/2hmx.pdb ############========== now at pdbs/new/2hmx.pdb 38 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 44 plot_file= 0 open_and_read_pdb(): Trying to read pdbs/new/2mev.pdb open_and_read_pdb(): Finished reading pdbs/new/2mev.pdb ############========== now at pdbs/new/2mev.pdb 39 ===========############# ------- changing CYS 86 to CSS because of disulfide -------- ------- changing CYS 88 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2omf.pdb open_and_read_pdb(): Finished reading pdbs/new/2omf.pdb ############========== now at pdbs/new/2omf.pdb 40 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2ora.pdb open_and_read_pdb(): Finished reading pdbs/new/2ora.pdb ############========== now at pdbs/new/2ora.pdb 41 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2pab.pdb open_and_read_pdb(): Finished reading pdbs/new/2pab.pdb ############========== now at pdbs/new/2pab.pdb 42 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2pel.pdb open_and_read_pdb(): Finished reading pdbs/new/2pel.pdb ############========== now at pdbs/new/2pel.pdb 43 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2phy.pdb open_and_read_pdb(): Finished reading pdbs/new/2phy.pdb ############========== now at pdbs/new/2phy.pdb 44 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2ptc.pdb open_and_read_pdb(): Finished reading pdbs/new/2ptc.pdb ############========== now at pdbs/new/2ptc.pdb 45 ===========############# ------- 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 -------- ------- 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= 536917200 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/new/2r04.pdb open_and_read_pdb(): Finished reading pdbs/new/2r04.pdb ############========== now at pdbs/new/2r04.pdb 46 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2rsl.pdb open_and_read_pdb(): Finished reading pdbs/new/2rsl.pdb ############========== now at pdbs/new/2rsl.pdb 47 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2sod.pdb open_and_read_pdb(): Finished reading pdbs/new/2sod.pdb ############========== now at pdbs/new/2sod.pdb 48 ===========############# ------- changing CYS 55 to CSS because of disulfide -------- ------- changing CYS 144 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2srt.pdb open_and_read_pdb(): Finished reading pdbs/new/2srt.pdb ############========== now at pdbs/new/2srt.pdb 49 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2tbs.pdb open_and_read_pdb(): Finished reading pdbs/new/2tbs.pdb ############========== now at pdbs/new/2tbs.pdb 50 ===========############# ------- 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= 536917200 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/new/2tct.pdb open_and_read_pdb(): Finished reading pdbs/new/2tct.pdb ############========== now at pdbs/new/2tct.pdb 51 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2trt.pdb open_and_read_pdb(): Finished reading pdbs/new/2trt.pdb ############========== now at pdbs/new/2trt.pdb 52 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2ts1.pdb open_and_read_pdb(): Finished reading pdbs/new/2ts1.pdb ############========== now at pdbs/new/2ts1.pdb 53 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/2vaa.pdb open_and_read_pdb(): Finished reading pdbs/new/2vaa.pdb ############========== now at pdbs/new/2vaa.pdb 54 ===========############# ------- changing CYS 101 to CSS because of disulfide -------- ------- changing CYS 164 to CSS because of disulfide -------- ------- changing CYS 203 to CSS because of disulfide -------- ------- changing CYS 259 to CSS because of disulfide -------- ------- changing CYS 25 to CSS because of disulfide -------- ------- changing CYS 80 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 34 plot_file= 0 Didn't type the following atom: ATOM 3123 OXT LEU P 8 38.620 58.540 -16.696 1.00 0.00 open_and_read_pdb(): Trying to read pdbs/new/2yhx.pdb open_and_read_pdb(): Finished reading pdbs/new/2yhx.pdb ############========== now at pdbs/new/2yhx.pdb 55 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/351c.pdb open_and_read_pdb(): Finished reading pdbs/new/351c.pdb ############========== now at pdbs/new/351c.pdb 56 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3adk.pdb open_and_read_pdb(): Finished reading pdbs/new/3adk.pdb ############========== now at pdbs/new/3adk.pdb 57 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3bcl.pdb open_and_read_pdb(): Finished reading pdbs/new/3bcl.pdb ############========== now at pdbs/new/3bcl.pdb 58 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3bjl.pdb open_and_read_pdb(): Finished reading pdbs/new/3bjl.pdb ############========== now at pdbs/new/3bjl.pdb 59 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 89 to CSS because of disulfide -------- ------- changing CYS 138 to CSS because of disulfide -------- ------- changing CYS 197 to CSS because of disulfide -------- ------- changing CYS 215 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3cln.pdb open_and_read_pdb(): Finished reading pdbs/new/3cln.pdb ############========== now at pdbs/new/3cln.pdb 60 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3gap.pdb open_and_read_pdb(): Finished reading pdbs/new/3gap.pdb ############========== now at pdbs/new/3gap.pdb 61 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3gbp.pdb open_and_read_pdb(): Finished reading pdbs/new/3gbp.pdb ############========== now at pdbs/new/3gbp.pdb 62 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3grs.pdb open_and_read_pdb(): Finished reading pdbs/new/3grs.pdb ############========== now at pdbs/new/3grs.pdb 63 ===========############# ------- changing CYS 58 to CSS because of disulfide -------- ------- changing CYS 63 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/3hvt.pdb open_and_read_pdb(): Finished reading pdbs/new/3hvt.pdb ############========== now at pdbs/new/3hvt.pdb 64 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 30 plot_file= 0 Didn't type the following atom: ATOM 7407 OXT GLN B 428 96.034 13.327 68.156 1.00 0.00 open_and_read_pdb(): Trying to read pdbs/new/3pgk.pdb open_and_read_pdb(): Finished reading pdbs/new/3pgk.pdb ############========== now at pdbs/new/3pgk.pdb 65 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/4gcr.pdb open_and_read_pdb(): Finished reading pdbs/new/4gcr.pdb ############========== now at pdbs/new/4gcr.pdb 66 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/5at1.pdb open_and_read_pdb(): Finished reading pdbs/new/5at1.pdb ############========== now at pdbs/new/5at1.pdb 67 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/7fab.pdb open_and_read_pdb(): Finished reading pdbs/new/7fab.pdb ############========== now at pdbs/new/7fab.pdb 68 ===========############# ------- changing CYS 22 to CSS because of disulfide -------- ------- changing CYS 83 to CSS because of disulfide -------- ------- changing CYS 130 to CSS because of disulfide -------- ------- changing CYS 189 to CSS because of disulfide -------- ------- changing CYS 95 to CSS because of disulfide -------- ------- changing CYS 144 to CSS because of disulfide -------- ------- changing CYS 200 to CSS because of disulfide -------- ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 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/new/newlist open_and_read_pdb(): Finished reading pdbs/new/newlist ############========== now at pdbs/new/newlist 69 ===========############# ModifiedVolume.c [10]: PrintVolumeParameters(): CalcVHookFcn= 536917200 the_method= 4 volume_max_distance= 64.0000 distance_check= 8.0000 vertices_count= 42 plot_file= 0 I'm done! 2029.818u 14.308s 34:13.13 99.5% 0+22k 2374+6io 16pf+0w