adding gasteiger charges to peptide
sx:30 sy:28 sz:15
cx:-15.340 cy:-16.648 cz:16.195
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-02-19 21:09:19 8
没有可运行的命令
('lines', [])
php ../php/sendResult_bd.php ../dock_file/ajinkyapowar103@gmail.com/bd-screen/20260219164427/screen 7VI0.pdb ajinkyapowar103@gmail.com FDA-approved2026-02-19 16:44:27
2026-02-19 16:44:27
2026-02-19 16:44:27
update status in workRecord success
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