adding gasteiger charges to peptide
sx:17  sy:10  sz:8  
cx:14.261  cy:-12.977  cz:3.740  
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=1773131099@qq.com&time=20250702133737&rec=2.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-03 01:17:27 87
('\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/20250702153604/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 1.917 9.056 -7.670 15 15 8 1.pdb 1773131099@qq.com 1> ../dock_file/Guest/bd-screen/20250702153604/screen/log.txt 2>../dock_file/Guest/bd-screen/20250702153604/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/1773131099@qq.com/bd-screen/20250702133737/screen 2.pdb 1773131099@qq.com TCMML2025-07-02 11:45:37
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update status in workRecord success
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