adding gasteiger charges to peptide sx:26 sy:25 sz:15 cx:-0.066 cy:-36.188 cz:-3.478 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-04-20 05:10:48 12 没有可运行的命令 ('lines', []) php ../php/sendResult_bd.php ../dock_file/kraditi16@gmail.com/bd-screen/20260420004738/screen 7CTZ.pdb kraditi16@gmail.com FDA-approved2026-04-20 00:47:38 2026-04-20 00:47:38 2026-04-20 00:47:38 update status in workRecord success 邮件发送成功