adding gasteiger charges to peptide sx:13 sy:12 sz:13 cx:-23.298 cy:-2.206 cz:-26.797 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-03-24 02:59:54 11 没有可运行的命令 ('lines', []) php ../php/sendResult_bd.php ../dock_file/sail.019@163.com/bd-screen/20260324010208/screen pdb8th6.pdb sail.019@163.com FDA-approved2026-03-24 01:02:08 2026-03-24 01:02:08 2026-03-24 01:02:08 update status in workRecord success 邮件发送成功