adding gasteiger charges to peptide sx:12 sy:14 sz:18 cx:8.064 cy:12.294 cz:3.217 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2025-06-16 00:25:52 85 ('\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/wuqian1019123@163.com/bd-screen/20250614170812/screen ../lib/pdbqt/fdaapp_new 100 null none -19.403 -3.805 3.560 20 27 15 HP-P14780-F1-model_v4_MMP9.pdb wuqian1019123@163.com 1> ../dock_file/wuqian1019123@163.com/bd-screen/20250614170812/screen/log.txt 2>../dock_file/wuqian1019123@163.com/bd-screen/20250614170812/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/wuqian1019123@163.com/bd-screen/20250614170524/screen HP-P07741-F1-model_v4_APRT.pdb wuqian1019123@163.com FDA-approved2025-06-05 20:02:26 2025-06-14 17:05:24 2025-06-06 12:29:07 2025-06-14 17:05:24 2025-06-06 20:43:17 2025-06-14 17:05:24 2025-06-06 20:44:49 2025-06-14 17:05:24 2025-06-06 20:46:48 2025-06-14 17:05:24 2025-06-06 20:48:51 2025-06-14 17:05:24 2025-06-06 20:48:02 2025-06-14 17:05:24 2025-06-06 20:50:01 2025-06-14 17:05:24 2025-06-07 13:53:16 2025-06-14 17:05:24 2025-06-07 14:56:03 2025-06-14 17:05:24 2025-06-07 14:56:03 2025-06-14 17:05:24 2025-06-07 14:57:01 2025-06-14 17:05:24 2025-06-07 14:56:03 2025-06-14 17:05:24 2025-06-07 14:56:03 2025-06-14 17:05:24 2025-06-09 22:10:36 2025-06-14 17:05:24 2025-06-09 22:11:53 2025-06-14 17:05:24 2025-06-09 22:13:32 2025-06-14 17:05:24 2025-06-09 22:15:09 2025-06-14 17:05:24 2025-06-09 22:16:24 2025-06-14 17:05:24 2025-06-09 22:18:07 2025-06-14 17:05:24 2025-06-09 22:20:49 2025-06-14 17:05:24 2025-06-09 22:22:14 2025-06-14 17:05:24 2025-06-09 22:23:26 2025-06-14 17:05:24 2025-06-09 22:30:28 2025-06-14 17:05:24 2025-06-09 22:41:15 2025-06-14 17:05:24 2025-06-11 09:48:47 2025-06-14 17:05:24 2025-06-11 09:50:19 2025-06-14 17:05:24 2025-06-11 09:51:36 2025-06-14 17:05:24 2025-06-11 09:53:06 2025-06-14 17:05:24 2025-06-11 09:55:36 2025-06-14 17:05:24 2025-06-11 09:56:46 2025-06-14 17:05:24 2025-06-11 09:58:01 2025-06-14 17:05:24 2025-06-11 09:59:13 2025-06-14 17:05:24 2025-06-11 10:00:19 2025-06-14 17:05:24 2025-06-11 10:01:49 2025-06-14 17:05:24 2025-06-11 10:02:57 2025-06-14 17:05:24 2025-06-11 10:05:34 2025-06-14 17:05:24 2025-06-11 10:06:51 2025-06-14 17:05:24 2025-06-11 10:08:15 2025-06-14 17:05:24 2025-06-11 10:15:18 2025-06-14 17:05:24 2025-06-11 10:25:09 2025-06-14 17:05:24 2025-06-11 10:27:00 2025-06-14 17:05:24 2025-06-11 10:28:27 2025-06-14 17:05:24 2025-06-11 10:30:42 2025-06-14 17:05:24 2025-06-11 10:32:59 2025-06-14 17:05:24 2025-06-11 10:36:01 2025-06-14 17:05:24 2025-06-11 10:38:35 2025-06-14 17:05:24 2025-06-11 10:40:44 2025-06-14 17:05:24 2025-06-11 19:42:32 2025-06-14 17:05:24 2025-06-11 22:51:06 2025-06-14 17:05:24 2025-06-11 22:52:23 2025-06-14 17:05:24 2025-06-12 09:28:20 2025-06-14 17:05:24 2025-06-12 09:30:53 2025-06-14 17:05:24 2025-06-12 09:32:16 2025-06-14 17:05:24 2025-06-12 09:33:24 2025-06-14 17:05:24 2025-06-12 09:35:58 2025-06-14 17:05:24 2025-06-13 09:09:06 2025-06-14 17:05:24 2025-06-13 09:09:32 2025-06-14 17:05:24 2025-06-13 09:10:02 2025-06-14 17:05:24 2025-06-13 09:10:35 2025-06-14 17:05:24 2025-06-13 09:15:23 2025-06-14 17:05:24 2025-06-14 13:46:58 2025-06-14 17:05:24 2025-06-14 13:48:07 2025-06-14 17:05:24 2025-06-14 13:50:28 2025-06-14 17:05:24 2025-06-14 13:52:03 2025-06-14 17:05:24 2025-06-14 13:53:45 2025-06-14 17:05:24 2025-06-14 13:55:55 2025-06-14 17:05:24 2025-06-14 13:57:07 2025-06-14 17:05:24 2025-06-14 14:00:35 2025-06-14 17:05:24 2025-06-14 14:01:42 2025-06-14 17:05:24 2025-06-14 14:02:49 2025-06-14 17:05:24 2025-06-14 16:51:52 2025-06-14 17:05:24 2025-06-14 16:53:04 2025-06-14 17:05:24 2025-06-14 16:57:22 2025-06-14 17:05:24 2025-06-14 17:00:42 2025-06-14 17:05:24 2025-06-14 17:05:24 2025-06-14 17:05:24 2025-06-14 17:08:12 2025-06-14 17:05:24 2025-06-14 17:09:11 2025-06-14 17:05:24 2025-06-14 17:10:51 2025-06-14 17:05:24 2025-06-14 17:13:27 2025-06-14 17:05:24 2025-06-14 17:15:48 2025-06-14 17:05:24 2025-06-14 17:16:58 2025-06-14 17:05:24 2025-06-14 17:22:02 2025-06-14 17:05:24 2025-06-14 17:24:30 2025-06-14 17:05:24 2025-06-14 17:24:06 2025-06-14 17:05:24 2025-06-14 17:25:30 2025-06-14 17:05:24 2025-06-14 17:26:05 2025-06-14 17:05:24 2025-06-14 17:05:24 update status in workRecord success 邮件发送成功