adding gasteiger charges to peptide
sx:30 sy:28 sz:26
cx:-30.862 cy:-12.680 cz:4.617
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-03-25 03:14:40 11
没有可运行的命令
('lines', [])
php ../php/sendResult_bd.php ../dock_file/ajamoljadhav1222@gmail.com/bd-screen/20260324204115/screen 7ER9.pdb ajamoljadhav1222@gmail.com FDA-approved2026-03-24 20:25:58
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update status in workRecord success
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