adding gasteiger charges to peptide
sx:18  sy:10  sz:11  
cx:37.601  cy:18.227  cz:-37.975  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=jiesun19901212@163.com&time=20260225203123&rec=IL12RB1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-27 03:01:50 26
('\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/20260225203248/screen ../lib/pdbqt/fdaapp_new 100 null none 9.869 -7.963 -13.588 10 14 10 MPV17L2.pdb jiesun19901212@163.com 1> ../dock_file/jiesun19901212@163.com/bd-screen/20260225203248/screen/log.txt 2>../dock_file/jiesun19901212@163.com/bd-screen/20260225203248/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jiesun19901212@163.com/bd-screen/20260225203123/screen IL12RB1.pdb jiesun19901212@163.com FDA-approved2026-02-25 04:46:29
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