adding gasteiger charges to peptide
sx:6 sy:7 sz:7
cx:18.424 cy:7.396 cz:-53.611
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-05-13 23:12:11 12
没有可运行的命令
('lines', [])
php ../php/sendResult_bd.php ../dock_file/1157754089@qq.com/bd-screen/20260513213228/screen 5HLO_chainA.pdb 1157754089@qq.com FDA-approved2026-05-13 21:32:28
2026-05-13 21:32:28
2026-05-13 21:32:28
update status in workRecord success
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