adding gasteiger charges to peptide
sx:12  sy:20  sz:12  
cx:-12.950  cy:-9.134  cz:9.679  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20250527222857&rec=AF-P27487-F1-model_v4.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-28 14:14:06 73
('\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/20250527223154/screen ../lib/pdbqt/fdaapp_new 100 null none -24.126 -4.453 -7.641 19 20 27 AF-P27487-F1-model_v4.pdb duttasomarpita@kgpian.iitkgp.ac.in 1> ../dock_file/Guest/bd-screen/20250527223154/screen/log.txt 2>../dock_file/Guest/bd-screen/20250527223154/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250527222857/screen AF-P27487-F1-model_v4.pdb duttasomarpita@kgpian.iitkgp.ac.in FDA-approved2025-04-28 17:26:09
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update status in workRecord success
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