adding gasteiger charges to peptide
sx:16  sy:18  sz:21  
cx:-0.475  cy:-10.905  cz:24.901  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=ic528@georgetown.edu&time=20260403134154&rec=8FP5_Full_Apo_Clean.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-04-04 13:47:35 15
('\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/ic528@georgetown.edu/bd-screen/20260403134329/screen ../lib/pdbqt/fdaapp_new 100 null none -0.475 -10.905 24.901 16 18 21 8FP5_Full_Apo_Clean.pdb ic528@georgetown.edu 1> ../dock_file/ic528@georgetown.edu/bd-screen/20260403134329/screen/log.txt 2>../dock_file/ic528@georgetown.edu/bd-screen/20260403134329/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/ic528@georgetown.edu/bd-screen/20260403134154/screen 8FP5_Full_Apo_Clean.pdb ic528@georgetown.edu FDA-approved2026-02-02 05:42:04
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update status in workRecord success
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