adding gasteiger charges to peptide
sx:19  sy:13  sz:23  
cx:28.392  cy:-20.978  cz:-17.341  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=jkoza@nebrwesleyan.edu&time=20250402091805&rec=5fsg.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-07 22:23:04 76
('\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/Peng_xinyi2001@163.com/bd-screen/20250403001300/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -7.905 5.339 -10.388 25 23 27 zbtb4.pdb Peng_xinyi2001@163.com 1> ../dock_file/Peng_xinyi2001@163.com/bd-screen/20250403001300/screen/log.txt 2>../dock_file/Peng_xinyi2001@163.com/bd-screen/20250403001300/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jkoza@nebrwesleyan.edu/bd-screen/20250402091805/screen 5fsg.pdb jkoza@nebrwesleyan.edu FDA-approved2025-04-02 09:18:05
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update status in workRecord success
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