adding gasteiger charges to peptide sx:26 sy:18 sz:11 cx:5.215 cy:9.782 cz:10.069 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-02-27 20:36:26 21 ('\xe5\xbc\x80\xe5\xa7\x8b\xe8\xbf\x90\xe8\xa1\x8c\xe5\x91\xbd\xe4\xbb\xa4\xef\xbc\x9a', 'perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20260225204642/screen ../lib/pdbqt/fdaapp_new 100 null none 80.019 -29.499 -7.416 12 6 11 2PSN.pdb praffula12@gmail.com 1> ../dock_file/Guest/bd-screen/20260225204642/screen/log.txt 2>../dock_file/Guest/bd-screen/20260225204642/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/maryamhassanpoor92@gmail.com/bd-screen/20260225164149/screen TLR9-clean.pdb maryamhassanpoor92@gmail.com FDA-approved2026-02-25 16:41:49 2026-02-25 16:41:49 2026-02-27 09:04:54 2026-02-25 16:41:49 2026-02-27 09:45:31 2026-02-25 16:41:49 2026-02-27 09:06:37 2026-02-25 16:41:49 2026-02-25 16:41:49 update status in workRecord success 邮件发送成功