adding gasteiger charges to peptide
sx:12  sy:23  sz:12  
cx:10.957  cy:4.915  cz:-2.940  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20240403142940&rec=AURKB_receptor.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2024-04-04 05:40:50 -4
开始运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20240403054425/screen ../lib/pdbqt/fdaapp_new 200 null none -24.498 -18.265 -6.109 13 16 17 1zhg.pdb kutubuddinashraf@yahoo.com 1> ../dock_file/Guest/bd-screen/20240403054425/screen/log.txt 2>../dock_file/Guest/bd-screen/20240403054425/screen/error.txt &
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20240403142940/screen AURKB_receptor.pdb oum30944@gmail.com FDA-approvedupdate status in workRecord success
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