adding gasteiger charges to peptide sx:15 sy:22 sz:19 cx:131.920 cy:91.976 cz:90.731 start thread 0
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one step finished!start thread 0
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../lib/pdbqt/fdaapp_newFDA-approved View result2026-02-28 16:07:06 16 ('\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/maryamhassanpoor92@gmail.com/bd-screen/20260227090637/screen ../lib/pdbqt/fdaapp_new 100 null none 5.215 9.782 10.069 26 18 11 TLR9-clean.pdb maryamhassanpoor92@gmail.com 1> ../dock_file/maryamhassanpoor92@gmail.com/bd-screen/20260227090637/screen/log.txt 2>../dock_file/maryamhassanpoor92@gmail.com/bd-screen/20260227090637/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/maryamhassanpoor92@gmail.com/bd-screen/20260227094531/screen TLR7-clean.pdb maryamhassanpoor92@gmail.com FDA-approved2026-02-25 16:41:49 2026-02-27 09:45:31 2026-02-27 09:04:54 2026-02-27 09:45:31 2026-02-27 09:45:31 2026-02-27 09:45:31 2026-02-27 09:06:37 2026-02-27 09:45:31 2026-02-27 09:45:31 update status in workRecord success 邮件发送成功