adding gasteiger charges to peptide
sx:21  sy:30  sz:25  
cx:6.380  cy:0.045  cz:-7.655  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=jiesun19901212@163.com&time=20260225200504&rec=DHRS11.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-26 18:21:58 27
('\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/jiesun19901212@163.com/bd-screen/20260225200405/screen ../lib/pdbqt/fdaapp_new 100 null none -25.190 -4.634 5.573 29 30 30 CIITA.pdb jiesun19901212@163.com 1> ../dock_file/jiesun19901212@163.com/bd-screen/20260225200405/screen/log.txt 2>../dock_file/jiesun19901212@163.com/bd-screen/20260225200405/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jiesun19901212@163.com/bd-screen/20260225200504/screen DHRS11.pdb jiesun19901212@163.com FDA-approved2026-02-25 04:46:29
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update status in workRecord success
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