adding gasteiger charges to peptide
sx:29  sy:18  sz:18  
cx:-10.809  cy:-4.938  cz:-1.260  
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one step finished!start thread 0<br>
../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=Chenzhangren@ncu.edu.cn&time=20250626012251&rec=ELAVL1-AF-Q15717-F1-model_v4.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2025-06-26 07:14:07 91
('\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/Chenzhangren@ncu.edu.cn/bd-screen/20250626012737/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -10.809 -4.938 -1.260 29 18 18 ELAVL1-AF-Q15717-F1-model_v4.pdb Chenzhangren@ncu.edu.cn 1> ../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626012737/screen/log.txt 2>../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626012737/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626012251/screen ELAVL1-AF-Q15717-F1-model_v4.pdb Chenzhangren@ncu.edu.cn FDA-experimental2025-06-26 01:21:41
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update status in workRecord success
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