adding gasteiger charges to peptide
sx:30 sy:30 sz:30
cx:3.021 cy:5.771 cz:-3.940
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-19 08:38:37 27
('\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/1443109305@qq.com/bd-screen/20250716194109/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 17.525 17.693 48.484 21 29 24 5oj7.pdb 1443109305@qq.com 1> ../dock_file/1443109305@qq.com/bd-screen/20250716194109/screen/log.txt 2>../dock_file/1443109305@qq.com/bd-screen/20250716194109/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/deepanjanmbbt22@klyuniv.ac.in/bd-screen/20250716131257/screen TEC1_model_1_Final.pdb deepanjanmbbt22@klyuniv.ac.in FDA-approved2025-06-16 12:00:32
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update status in workRecord success
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