adding gasteiger charges to peptide
sx:19  sy:15  sz:14  
cx:14.087  cy:2.909  cz:-8.895  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=sheynce@gmail.com&time=20250407210322&rec=A0A2K6VND2.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-11 08:08:14 100
('\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/sheynce@gmail.com/bd-screen/20250407210719/screen ../lib/pdbqt/fdaapp_new 100 null none -21.805 0.021 13.907 13 14 10 A0A2K6VP43.pdb sheynce@gmail.com 1> ../dock_file/sheynce@gmail.com/bd-screen/20250407210719/screen/log.txt 2>../dock_file/sheynce@gmail.com/bd-screen/20250407210719/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/sheynce@gmail.com/bd-screen/20250407210322/screen A0A2K6VND2.pdb sheynce@gmail.com FDA-approved2025-03-24 08:54:03
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update status in workRecord success
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