adding gasteiger charges to peptide
sx:10  sy:18  sz:17  
cx:23.243  cy:-80.423  cz:21.633  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=d.hashemi.karoii@ut.ac.ir&time=20240330172307&rec=ntm.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2024-03-31 13:56:42 -4
开始运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20240330223119/screen ../lib/pdbqt/pdbqt7kb_filter 200 null none 37.421 18.124 -21.665 23 11 18 pfdyn2.pdb kutubuddinashraf@yahoo.com 1> ../dock_file/Guest/bd-screen/20240330223119/screen/log.txt 2>../dock_file/Guest/bd-screen/20240330223119/screen/error.txt &
php ../php/sendResult_bd.php ../dock_file/d.hashemi.karoii@ut.ac.ir/bd-screen/20240330172307/screen ntm.pdb d.hashemi.karoii@ut.ac.ir FDA-approvedupdate status in workRecord success
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