adding gasteiger charges to peptide
sx:21  sy:23  sz:30  
cx:-12.455  cy:-6.207  cz:11.205  
start thread 0<br>
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one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=xiangwang@scu.edu.cn&time=20260507111135&rec=protein_1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-05-08 01:31:43 15
('\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/xiangwang@scu.edu.cn/bd-screen/20260507140244/screen ../lib/pdbqt/fdaapp_new 100 null none -14 -6.5 21.55 21 23 23 protein_1.pdb xiangwang@scu.edu.cn 1> ../dock_file/xiangwang@scu.edu.cn/bd-screen/20260507140244/screen/log.txt 2>../dock_file/xiangwang@scu.edu.cn/bd-screen/20260507140244/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/xiangwang@scu.edu.cn/bd-screen/20260507111135/screen protein_1.pdb xiangwang@scu.edu.cn FDA-approved2026-05-07 11:11:35
2026-05-07 11:11:35
2026-05-07 14:02:44
2026-05-07 11:11:35

2026-05-07 11:11:35
update status in workRecord success
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