adding gasteiger charges to peptide
sx:16  sy:27  sz:15  
cx:92.095  cy:15.772  cz:69.281  
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../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=emmanuelowina6714@gmail.com&time=20260211144426&rec=1a52.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2026-02-16 14:29:55 12
('\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/20260212150320/screen ../lib/pdbqt/fdaapp_new 100 ../dock_file/Guest/bd-screen/20260212150320/screen/ none -4.7 7.5 -2.6 13 17 19 1XR0.pdb chlalalala@163.com 1> ../dock_file/Guest/bd-screen/20260212150320/screen/log.txt 2>../dock_file/Guest/bd-screen/20260212150320/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/emmanuelowina6714@gmail.com/bd-screen/20260211144426/screen 1a52.pdb emmanuelowina6714@gmail.com FDA-experimental2026-02-11 14:48:52
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2026-02-11 14:44:26

2026-02-11 14:44:26
update status in workRecord success
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