adding gasteiger charges to peptide
sx:10  sy:30  sz:22  
cx:15.024  cy:19.210  cz:-0.268  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=mariakarvelag3@gmail.com&time=20250421104737&rec=6wxj.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-25 05:23:32 98
('\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/20250421160334/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/20250421160334/screen/log.txt 2>../dock_file/12131320@mail.sustech.edu.cn/bd-screen/20250421160334/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/mariakarvelag3@gmail.com/bd-screen/20250421104737/screen 6wxj.pdb mariakarvelag3@gmail.com FDA-approved2025-04-15 12:54:55
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2025-04-21 10:47:37

2025-04-21 10:47:37
update status in workRecord success
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