adding gasteiger charges to peptide
sx:18  sy:14  sz:12  
cx:97.265  cy:102.272  cz:101.601  
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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=lijingrong@stu.gmc.edu.cn&time=20250306114154&rec=8hfg.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-03-08 23:45:15 71
('\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/20250306123257/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 97.265 102.272 101.601 18 14 12 8hfg.pdb lijingrong@stu.gmc.edu.cn 1> ../dock_file/Guest/bd-screen/20250306123257/screen/log.txt 2>../dock_file/Guest/bd-screen/20250306123257/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/lijingrong@stu.gmc.edu.cn/bd-screen/20250306114154/screen 8hfg.pdb lijingrong@stu.gmc.edu.cn TCMML2025-03-05 22:23:55
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update status in workRecord success
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