adding gasteiger charges to peptide sx:7 sy:13 sz:5 cx:16.538 cy:-2.766 cz:5.557 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/TCMML_pdbqtTCMML View result2025-05-26 21:49:10 74 ('\xe5\xbc\x80\xe5\xa7\x8b\xe8\xbf\x90\xe8\xa1\x8c\xe5\x91\xbd\xe4\xbb\xa4\xef\xbc\x9a', 'perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20250526201246/screen ../lib/pdbqt/fdaapp_new 100 null none 145.678 145.572 151.035 30 30 28 6xdc.pdb 2213543198@qq.com 1> ../dock_file/Guest/bd-screen/20250526201246/screen/log.txt 2>../dock_file/Guest/bd-screen/20250526201246/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250526170817/screen 3lbj_protein.pdb saravananbioinform@gmail.com TCMML2025-04-27 20:04:45 2025-05-26 17:08:17 2025-04-27 20:04:45 2025-05-26 17:08:17 2025-04-28 12:39:44 2025-05-26 17:08:17 2025-04-28 17:26:09 2025-05-26 17:08:17 2025-04-28 12:39:44 2025-05-26 17:08:17 2025-04-29 15:13:30 2025-05-26 17:08:17 2025-04-29 15:40:12 2025-05-26 17:08:17 2025-04-29 15:40:12 2025-05-26 17:08:17 2025-04-29 15:40:12 2025-05-26 17:08:17 2025-04-29 16:37:42 2025-05-26 17:08:17 2025-04-29 19:04:33 2025-05-26 17:08:17 2025-04-29 16:17:27 2025-05-26 17:08:17 2025-04-29 10:40:16 2025-05-26 17:08:17 2025-04-30 15:53:07 2025-05-26 17:08:17 2025-04-30 16:10:34 2025-05-26 17:08:17 2025-04-30 23:08:20 2025-05-26 17:08:17 2025-04-30 23:08:20 2025-05-26 17:08:17 2025-04-28 12:39:44 2025-05-26 17:08:17 2025-05-01 11:51:51 2025-05-26 17:08:17 2025-05-03 16:25:25 2025-05-26 17:08:17 2025-05-03 16:25:25 2025-05-26 17:08:17 2025-05-03 16:25:25 2025-05-26 17:08:17 2025-05-05 11:25:44 2025-05-26 17:08:17 2025-05-06 15:21:49 2025-05-26 17:08:17 2025-05-06 15:26:56 2025-05-26 17:08:17 2025-05-06 15:28:25 2025-05-26 17:08:17 2025-05-06 15:26:56 2025-05-26 17:08:17 2025-05-06 15:21:49 2025-05-26 17:08:17 2025-05-06 15:28:25 2025-05-26 17:08:17 2025-05-06 15:30:35 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-08 00:12:34 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-08 09:39:31 2025-05-26 17:08:17 2025-05-08 09:43:04 2025-05-26 17:08:17 2025-05-08 10:12:23 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-08 00:12:34 2025-05-26 17:08:17 2025-05-08 10:12:23 2025-05-26 17:08:17 2025-05-08 10:12:23 2025-05-26 17:08:17 2025-05-08 20:48:42 2025-05-26 17:08:17 2025-05-08 21:00:40 2025-05-26 17:08:17 2025-05-08 21:56:24 2025-05-26 17:08:17 2025-05-08 00:12:34 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-08 21:56:24 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-09 09:50:57 2025-05-26 17:08:17 2025-05-09 09:50:57 2025-05-26 17:08:17 2025-05-09 09:53:25 2025-05-26 17:08:17 2025-05-09 09:55:31 2025-05-26 17:08:17 2025-05-09 09:53:25 2025-05-26 17:08:17 2025-05-09 09:55:31 2025-05-26 17:08:17 2025-05-09 09:50:57 2025-05-26 17:08:17 2025-05-09 09:58:40 2025-05-26 17:08:17 2025-05-07 23:59:48 2025-05-26 17:08:17 2025-05-09 14:50:42 2025-05-26 17:08:17 2025-05-09 15:20:42 2025-05-26 17:08:17 2025-05-09 17:16:34 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2025-05-26 17:08:17 2025-05-26 12:19:06 2025-05-26 17:08:17 2025-05-26 12:19:06 2025-05-26 17:08:17 2025-05-26 15:27:13 2025-05-26 17:08:17 2025-05-26 15:36:03 2025-05-26 17:08:17 2025-05-26 17:08:17 2025-05-26 17:08:17 2025-05-26 20:12:46 2025-05-26 17:08:17 2025-05-26 20:12:46 2025-05-26 17:08:17 2025-05-26 18:31:56 2025-05-26 17:08:17 2025-05-26 18:39:27 2025-05-26 17:08:17 2025-05-26 18:48:48 2025-05-26 17:08:17 2025-05-26 18:52:51 2025-05-26 17:08:17 2025-05-26 18:57:34 2025-05-26 17:08:17 2025-05-26 17:08:17 update status in workRecord success 邮件发送成功