adding gasteiger charges to peptide
sx:9  sy:9  sz:15  
cx:-8.253  cy:-3.085  cz:15.750  
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../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=lx631847851@gmail.com&time=20260526122029&rec=TWIST1.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-05-26 17:03:30 14
('\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/lx631847851@gmail.com/bd-screen/20260526122119/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 5.933 -6.828 32.236 8 7 8 TWIST1.pdb lx631847851@gmail.com 1> ../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/log.txt 2>../dock_file/lx631847851@gmail.com/bd-screen/20260526122119/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/lx631847851@gmail.com/bd-screen/20260526122029/screen TWIST1.pdb lx631847851@gmail.com TCMML2026-05-26 12:18:20
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2026-05-26 12:21:19
2026-05-26 12:20:29

2026-05-26 12:20:29
update status in workRecord success
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