adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS198:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS638:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS847:NE2
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS1318:NE2
sx:25  sy:17  sz:18  
cx:0.502  cy:-2.259  cz:-17.494  
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=20250706103730&rec=CD169.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-07 01:09:21 93
('\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/20250706103930/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -10.522 8.558 -25.470 20 16 14 CD169.pdb 2974505561@qq.com 1> ../dock_file/Guest/bd-screen/20250706103930/screen/log.txt 2>../dock_file/Guest/bd-screen/20250706103930/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250706103730/screen CD169.pdb 2974505561@qq.com TCMML2025-06-07 09:53:00
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update status in workRecord success
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