adding gasteiger charges to peptide
sx:8  sy:12  sz:11  
cx:4.188  cy:16.549  cz:13.476  
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one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20250703132758&rec=NUDT1-8a3a.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-04 01:32:58 92
('\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/879038809@qq.com/bd-screen/20250703132833/screen ../lib/pdbqt/fdaapp_new 100 null none -2.559 -13.182 -2.749 13 9 11 AF-Q9P0S9-F1-model_v4.pdb 879038809@qq.com 1> ../dock_file/879038809@qq.com/bd-screen/20250703132833/screen/log.txt 2>../dock_file/879038809@qq.com/bd-screen/20250703132833/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250703132758/screen NUDT1-8a3a.pdb zxy1104@hnu.edu.cn TCMML2025-06-03 20:05:53
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update status in workRecord success
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