adding gasteiger charges to peptide
sx:11  sy:11  sz:10  
cx:-9.217  cy:-3.454  cz:-9.219  
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=20250702205148&rec=1.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-03 12:36:51 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/20250703104151/screen ../lib/pdbqt/fdaapp_new 100 null none -6.596 -10.436 -24.757 21 14 17 HSP90B-6n8y.pdb zxy1104@hnu.edu.cn 1> ../dock_file/Guest/bd-screen/20250703104151/screen/log.txt 2>../dock_file/Guest/bd-screen/20250703104151/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250702205148/screen 1.pdb 1773131099@qq.com TCMML2025-06-03 20:05:53
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update status in workRecord success
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