adding gasteiger charges to peptide
sx:17  sy:15  sz:11  
cx:-2.489  cy:2.409  cz:-12.459  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=jiesun19901212@163.com&time=20260225204903&rec=SOCS1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-27 18:58:21 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/maryamhassanpoor92@gmail.com/bd-screen/20260225164149/screen ../lib/pdbqt/fdaapp_new 100 null none 5.215 9.782 10.069 26 18 11 TLR9-clean.pdb maryamhassanpoor92@gmail.com 1> ../dock_file/maryamhassanpoor92@gmail.com/bd-screen/20260225164149/screen/log.txt 2>../dock_file/maryamhassanpoor92@gmail.com/bd-screen/20260225164149/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jiesun19901212@163.com/bd-screen/20260225204903/screen SOCS1.pdb jiesun19901212@163.com FDA-approved2026-02-25 04:46:29
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