adding gasteiger charges to peptide sx:6 sy:7 sz:7 cx:18.424 cy:7.396 cz:-53.611 start thread 0
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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 邮件发送成功