adding gasteiger charges to peptide
sx:14 sy:11 sz:16
cx:0.620 cy:-3.256 cz:-9.496
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2025-03-29 08:40:30 95
('\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/20250324122529/screen ../lib/pdbqt/TCMML_pdbqt 100 null none -30.240 29.922 30.582 12 28 7 new_model2.pdb azanhabib04@gmail.com 1> ../dock_file/Guest/bd-screen/20250324122529/screen/log.txt 2>../dock_file/Guest/bd-screen/20250324122529/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/arnima4f73@gmail.com/bd-screen/20250324122233/screen PmrC-EptA2_wild-type_PDB-file.pdb arnima4f73@gmail.com FDA-approved2025-03-24 12:20:57
2025-03-24 12:22:33
2025-03-24 12:22:33
2025-03-24 12:22:33
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update status in workRecord success
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