adding gasteiger charges to peptide sx:16 sy:21 sz:16 cx:30.194 cy:68.672 cz:46.727 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-08-09 23:58:28 14 ('\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/samsawant913@gmail.com/bd-screen/20250808142614/screen ../lib/pdbqt/fdaapp_new 100 null none 30.194 68.672 46.727 16 21 16 5z5o.pdb samsawant913@gmail.com 1> ../dock_file/samsawant913@gmail.com/bd-screen/20250808142614/screen/log.txt 2>../dock_file/samsawant913@gmail.com/bd-screen/20250808142614/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/samsawant913@gmail.com/bd-screen/20250808015200/screen 5z5o.pdb samsawant913@gmail.com FDA-approved2025-08-07 19:51:40 2025-08-08 01:52:00 2025-08-08 00:53:06 2025-08-08 01:52:00 2025-08-08 01:15:10 2025-08-08 01:52:00 2025-08-08 01:15:10 2025-08-08 01:52:00 2025-08-08 01:50:01 2025-08-08 01:52:00 2025-08-08 01:52:00 2025-08-08 01:52:00 2025-08-08 14:26:14 2025-08-08 01:52:00 2025-08-08 01:50:01 2025-08-08 01:52:00 2025-08-08 18:00:35 2025-08-08 01:52:00 2025-08-08 22:42:09 2025-08-08 01:52:00 2025-08-08 01:52:00 update status in workRecord success 邮件发送成功