adding gasteiger charges to peptide
Unable to assign MAP type to atom N
Sorry, there are no Gasteiger parameters available for atom receptor:A:HIS680:NE2
sx:23  sy:20  sz:30  
cx:-12.804  cy:-31.667  cz:7.809  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=yyx19960829@163.com&time=20250506173717&rec=SP1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-09 01:08:41 87
('\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/yyx19960829@163.com/bd-screen/20250506174017/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none -12.804 -31.667 7.809 23 20 30 SP1.pdb yyx19960829@163.com 1> ../dock_file/yyx19960829@163.com/bd-screen/20250506174017/screen/log.txt 2>../dock_file/yyx19960829@163.com/bd-screen/20250506174017/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/yyx19960829@163.com/bd-screen/20250506173717/screen SP1.pdb yyx19960829@163.com FDA-approved2025-03-12 06:41:18
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update status in workRecord success
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