adding gasteiger charges to peptide
sx:24  sy:21  sz:12  
cx:-12.590  cy:-13.233  cz:-7.871  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=12207130@zju.edu.cn&time=20260331144207&rec=AKT2-P31751-2-F1-model_v6.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-31 18:01:29 12
('\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/12207130@zju.edu.cn/bd-screen/20260331144418/screen ../lib/pdbqt/fdaapp_new 100 null none -12.590 -13.233 -7.871 24 21 12 AKT3-Q9Y243-F1-model_v6.pdb 12207130@zju.edu.cn 1> ../dock_file/12207130@zju.edu.cn/bd-screen/20260331144418/screen/log.txt 2>../dock_file/12207130@zju.edu.cn/bd-screen/20260331144418/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/12207130@zju.edu.cn/bd-screen/20260331144207/screen AKT2-P31751-2-F1-model_v6.pdb 12207130@zju.edu.cn FDA-approved2026-03-03 15:16:22
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2026-03-31 14:42:07
update status in workRecord success
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