adding gasteiger charges to peptide
sx:19  sy:20  sz:16  
cx:116.5  cy:104  cz:98.6  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=12131320@mail.sustech.edu.cn&time=20250421160334&rec=XJ_C9_R40.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-25 06:55:25 97
('\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/12131320@mail.sustech.edu.cn/bd-screen/20250421160626/screen ../lib/pdbqt/fdaapp_new 100 null none 116.5 104 98.6 19 20 16 XJ_C9_R40.pdb 12131320@mail.sustech.edu.cn 1> ../dock_file/12131320@mail.sustech.edu.cn/bd-screen/20250421160626/screen/log.txt 2>../dock_file/12131320@mail.sustech.edu.cn/bd-screen/20250421160626/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/12131320@mail.sustech.edu.cn/bd-screen/20250421160334/screen XJ_C9_R40.pdb 12131320@mail.sustech.edu.cn FDA-approved2025-03-29 19:05:38
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update status in workRecord success
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