adding gasteiger charges to peptide sx:21 sy:19 sz:18 cx:5.2 cy:-6.8 cz:-7.3 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-04-23 17:11:17 19 ('\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/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 37.005 17.080 2.950 24 23 8 receptor.pdb divyakhatri9010@gmail.com 1> ../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/log.txt 2>../dock_file/divyakhatri9010@gmail.com/bd-screen/20260423125308/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/kajal.karmakar@g.bracu.ac.bd/bd-screen/20260422210327/screen KlebProtein.pdb kajal.karmakar@g.bracu.ac.bd FDA-approved2026-04-21 23:20:23 2026-04-22 21:03:27 2026-04-22 21:03:27 2026-04-22 21:03:27 2026-04-22 21:03:27 update status in workRecord success 邮件发送成功