adding gasteiger charges to peptide
sx:17  sy:11  sz:10  
cx:5.325  cy:32.279  cz:19.893  
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one step finished!start thread 0<br>
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20260403110031&rec=6NJS.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-04-04 03:26:18 21
('\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/20260403140206/screen ../lib/pdbqt/fdaapp_new 100 null none 12.899 10.659 -13.227 30 24 25 AF-J9VK32-F1-model_v6.pdb mscb25003.24@bitmesra.ac.in 1> ../dock_file/Guest/bd-screen/20260403140206/screen/log.txt 2>../dock_file/Guest/bd-screen/20260403140206/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260403110031/screen 6NJS.pdb ikseniksen08@gmail.com FDA-approved2026-03-05 08:24:15
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update status in workRecord success
邮件发送成功