adding gasteiger charges to peptide
sx:6  sy:6  sz:13  
cx:98.851  cy:108.704  cz:97.935  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=ankitsreevastava@gmail.com&time=20260401170942&rec=8A9L.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-04-02 00:24:36 13
('\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/20260401201840/screen ../lib/pdbqt/fdaapp_new 100 null none -58.980 7.618 10.887 30 30 22 3b6r.pdb xxmfdu@163.com 1> ../dock_file/Guest/bd-screen/20260401201840/screen/log.txt 2>../dock_file/Guest/bd-screen/20260401201840/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/ankitsreevastava@gmail.com/bd-screen/20260401170942/screen 8A9L.pdb ankitsreevastava@gmail.com FDA-approved2026-04-01 17:09:42
2026-04-01 17:09:42

2026-04-01 17:09:42
update status in workRecord success
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