adding gasteiger charges to peptide sx:7 sy:6 sz:5 cx:42.958 cy:101.333 cz:64.433 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-01 19:46:31 88 ('\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/abid.genomics@gmail.com/bd-screen/20250630143309/screen ../lib/pdbqt/fdaapp_new 100 null none 202.442 217.847 212.273 30 28 30 L.pdb abid.genomics@gmail.com 1> ../dock_file/abid.genomics@gmail.com/bd-screen/20250630143309/screen/log.txt 2>../dock_file/abid.genomics@gmail.com/bd-screen/20250630143309/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/abid.genomics@gmail.com/bd-screen/20250630142534/screen P.pdb abid.genomics@gmail.com FDA-approved2025-06-30 12:00:27 2025-06-30 14:25:34 2025-06-30 14:25:34 2025-06-30 14:25:34 2025-06-30 14:25:34 2025-06-30 14:25:34 2025-06-30 14:33:09 2025-06-30 14:25:34 2025-06-30 14:25:34 update status in workRecord success 邮件发送成功