adding gasteiger charges to peptide
sx:7  sy:7  sz:5  
cx:9.469  cy:35.090  cz:41.697  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=1197123141@qq.com&time=20250331172543&rec=3hvn.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-04-05 13:26:01 85
('\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/coral_zy@163.com/bd-screen/20250331214655/screen ../lib/pdbqt/fdaapp_new 100 null none -10.486 -5.527 12.367 25 18 16 AF-Q9NYP7-F1-model_v4.AlphaFold_ELOVL5.pdb coral_zy@163.com 1> ../dock_file/coral_zy@163.com/bd-screen/20250331214655/screen/log.txt 2>../dock_file/coral_zy@163.com/bd-screen/20250331214655/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/1197123141@qq.com/bd-screen/20250331172543/screen 3hvn.pdb 1197123141@qq.com FDA-approved2025-03-10 20:21:36
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update status in workRecord success
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