adding gasteiger charges to peptide
sx:4  sy:5  sz:3  
cx:-9.559  cy:-11.344  cz:-14.022  
start thread 0<br>
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20250707101314&rec=cd169inside.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-07 21:48:19 100
('\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/1773131099@qq.com/bd-screen/20250707151702/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 4.768 37.872 13.354 22 13 26 1.pdb 1773131099@qq.com 1> ../dock_file/1773131099@qq.com/bd-screen/20250707151702/screen/log.txt 2>../dock_file/1773131099@qq.com/bd-screen/20250707151702/screen/error.txt &')
Error: 未指定口袋参数
Error: 未指定口袋参数
Error: 未指定口袋参数
Error: 未指定口袋参数
Error: 未指定口袋参数
Error: 未指定口袋参数
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250707101314/screen cd169inside.pdb 2974505561@qq.com TCMML2025-06-08 09:30:24
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update status in workRecord success
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