adding gasteiger charges to peptide
sx:18  sy:21  sz:16  
cx:90.738  cy:11.000  cz:36.699  
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../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=Guest&time=20240404181747&rec=2bl9.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2024-04-05 08:21:54 -5
开始运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20240404182217/screen ../lib/pdbqt/fdaapp_new 200 null none 26.153 10.594 -10.875 15 15 28 3au8.pdb kutubuddinashraf@yahoo.com 1> ../dock_file/Guest/bd-screen/20240404182217/screen/log.txt 2>../dock_file/Guest/bd-screen/20240404182217/screen/error.txt &
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20240404181747/screen 2bl9.pdb kutubashraf116@gmail.com FDA-experimentalupdate status in workRecord success
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