adding gasteiger charges to peptide
sx:17  sy:22  sz:24  
cx:50  cy:66  cz:16.8  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=wyijian2024@lzu.edu.cn&time=20250428173309&rec=3zrh.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-02 11:10:19 70
('\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/wyijian2024@lzu.edu.cn/bd-screen/20250428183520/screen ../lib/pdbqt/fdaapp_new 100 null none 148.1 133.3 134.6 29 26 23 7UN6new.pdb wyijian2024@lzu.edu.cn 1> ../dock_file/wyijian2024@lzu.edu.cn/bd-screen/20250428183520/screen/log.txt 2>../dock_file/wyijian2024@lzu.edu.cn/bd-screen/20250428183520/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/wyijian2024@lzu.edu.cn/bd-screen/20250428173309/screen 3zrh.pdb wyijian2024@lzu.edu.cn FDA-approved2025-04-10 01:15:20
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update status in workRecord success
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