adding gasteiger charges to peptide
sx:10  sy:20  sz:26  
cx:-7.977  cy:30.773  cz:10.500  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=104753251510@henu.edu.cn&time=20260308140306&rec=model.000.00.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-08 15:22:02 12
('\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/104753251510@henu.edu.cn/bd-screen/20260308140659/screen ../lib/pdbqt/fdaapp_new 100 null none 7.026 33.576 17.705 21 14 14 model.000.00.pdb 104753251510@henu.edu.cn 1> ../dock_file/104753251510@henu.edu.cn/bd-screen/20260308140659/screen/log.txt 2>../dock_file/104753251510@henu.edu.cn/bd-screen/20260308140659/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/104753251510@henu.edu.cn/bd-screen/20260308140306/screen model.000.00.pdb 104753251510@henu.edu.cn FDA-approved2026-03-08 14:03:06
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update status in workRecord success
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