adding gasteiger charges to peptide sx:30 sy:28 sz:15 cx:-15.340 cy:-16.648 cz:16.195 start thread 0
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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 邮件发送成功