adding gasteiger charges to peptide
sx:19  sy:23  sz:9  
cx:2.289  cy:2.000  cz:-11.542  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=jiesun19901212@163.com&time=20260225204634&rec=RAB3A.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-27 15:04:04 23
('\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/20260225204845/screen ../lib/pdbqt/fdaapp_new 100 null none -8.625 -6.120 2.154 8 14 9 ZNHIT3.pdb jiesun19901212@163.com 1> ../dock_file/jiesun19901212@163.com/bd-screen/20260225204845/screen/log.txt 2>../dock_file/jiesun19901212@163.com/bd-screen/20260225204845/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jiesun19901212@163.com/bd-screen/20260225204634/screen RAB3A.pdb jiesun19901212@163.com FDA-approved2026-02-25 04:46:29
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