adding gasteiger charges to peptide
sx:21  sy:28  sz:26  
cx:174.594  cy:170.969  cz:143.159  
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../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=alidoostmohamadi39@gmail.com&time=20250309003108&rec=NOX-cleared.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2025-03-11 22:30:52 74
('\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/Guest/bd-screen/20250308225148/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 174.594 170.969 143.159 21 28 26 NOX-cleared.pdb alidoostmohamadi39@gmail.com 1> ../dock_file/Guest/bd-screen/20250308225148/screen/log.txt 2>../dock_file/Guest/bd-screen/20250308225148/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/alidoostmohamadi39@gmail.com/bd-screen/20250309003108/screen NOX-cleared.pdb alidoostmohamadi39@gmail.com FDA-experimental2025-01-21 20:18:36
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update status in workRecord success
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