adding gasteiger charges to peptide
sx:22 sy:27 sz:30
cx:17.372 cy:18.961 cz:17.215
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-04-28 08:29:18 13
('\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/monirul.islam.563737@gmail.com/bd-screen/20260428035355/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -2.314 35.348 43.516 12 11 19 TTK_model_EnM.pdb monirul.islam.563737@gmail.com 1> ../dock_file/monirul.islam.563737@gmail.com/bd-screen/20260428035355/screen/log.txt 2>../dock_file/monirul.islam.563737@gmail.com/bd-screen/20260428035355/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/monirul.islam.563737@gmail.com/bd-screen/20260428035127/screen 4DV8-EM.pdb monirul.islam.563737@gmail.com FDA-approved2026-04-28 03:51:27
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2026-04-28 03:53:55
2026-04-28 03:51:27
2026-04-28 03:51:27
update status in workRecord success
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