adding gasteiger charges to peptide
sx:10  sy:4  sz:6  
cx:-13.602  cy:11.573  cz:-27.767  
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one step finished!start thread 0<br>
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20250421195522&rec=5gzc.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-25 12:55:07 98
('\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/20250421184607/screen ../lib/pdbqt/test 100 null none 9.538 27.894 -5.105 16 11 14 7NAH_updated.pdb kumkumshaw48@gmail.com 1> ../dock_file/Guest/bd-screen/20250421184607/screen/log.txt 2>../dock_file/Guest/bd-screen/20250421184607/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250421195522/screen 5gzc.pdb daniellrc@163.com FDA-approved2025-03-26 17:50:59
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update status in workRecord success
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