adding gasteiger charges to peptide sx:30 sy:17 sz:30 cx:5.365 cy:-14.074 cz:-3.634 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-06-30 09:20:26 95 ('\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/20250628052523/screen ../lib/pdbqt/fdaapp_new 100 null none 4.615 2.591 18.365 17 11 8 AF-A0A0V1BIP3-F1-model_v4.pdb peerut.chi@cra.ac.th 1> ../dock_file/Guest/bd-screen/20250628052523/screen/log.txt 2>../dock_file/Guest/bd-screen/20250628052523/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/1344210408@qq.com/bd-screen/20250628021723/screen AF-Q13443-F1-model_v4.pdb 1344210408@qq.com FDA-approved2025-06-28 02:17:23 2025-06-28 02:17:23 2025-06-28 02:17:23 update status in workRecord success 邮件发送成功