adding gasteiger charges to peptide
sx:29  sy:16  sz:22  
cx:-24.976  cy:-3.629  cz:14.882  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=jiesun19901212@163.com&time=20260225203848&rec=PTGER4.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-27 11:40:05 22
('\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/20260225203822/screen ../lib/pdbqt/fdaapp_new 100 null none -40.054 9.931 -3.802 14 21 18 PIK3R2.pdb jiesun19901212@163.com 1> ../dock_file/jiesun19901212@163.com/bd-screen/20260225203822/screen/log.txt 2>../dock_file/jiesun19901212@163.com/bd-screen/20260225203822/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jiesun19901212@163.com/bd-screen/20260225203848/screen PTGER4.pdb jiesun19901212@163.com FDA-approved2026-02-25 04:46:29
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