adding gasteiger charges to peptide
sx:30  sy:30  sz:30  
cx:-6.0531  cy:-2.2595  cz:-4.7557  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Guest&time=20260328230443&rec=wbp2.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-03-29 21:06:38 16
('\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/20260328231412/screen ../lib/pdbqt/pdbqt7kb_filter 200 null none -1.994 -36.217 25.288 30 30 30 5C7M_clean.pdb uraza345@yahoo.com 1> ../dock_file/Guest/bd-screen/20260328231412/screen/log.txt 2>../dock_file/Guest/bd-screen/20260328231412/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260328230443/screen wbp2.pdb uraza345@yahoo.com TCMML2026-02-28 10:09:31
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update status in workRecord success
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