adding gasteiger charges to peptide
sx:7  sy:12  sz:6  
cx:-23.194  cy:10.325  cz:-13.812  
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one step finished!start thread 0<br>
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20250616104011&rec=receptor.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-06-17 20:27:50 96
('\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/wuqian1019123@163.com/bd-screen/20250616121557/screen ../lib/pdbqt/fdaapp_new 100 null none -0.894 12.522 -10.273 30 30 30 MI-O14594-F1-model_v4_NCAN.pdb wuqian1019123@163.com 1> ../dock_file/wuqian1019123@163.com/bd-screen/20250616121557/screen/log.txt 2>../dock_file/wuqian1019123@163.com/bd-screen/20250616121557/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250616104011/screen receptor.pdb jiagao@ustc.edu.cn TCMML2025-05-19 01:02:13
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