adding gasteiger charges to peptide sx:12 sy:13 sz:12 cx:13.758 cy:14.879 cz:-10.485 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-02 14:31:34 89 ('\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/20250702105512/screen ../lib/pdbqt/fdaapp_new 100 null none 22.275 0.128 -15.844 18 28 17 DDX6_AlphaFold.pdb 2796519685@qq.com 1> ../dock_file/Guest/bd-screen/20250702105512/screen/log.txt 2>../dock_file/Guest/bd-screen/20250702105512/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/1344210408@qq.com/bd-screen/20250702102438/screen AF-Q13443-F1-model_v4.pdb 1344210408@qq.com FDA-approved2025-06-28 02:17:23 2025-07-02 10:24:38 2025-06-30 22:43:15 2025-07-02 10:24:38 2025-07-02 10:24:38 2025-07-02 10:24:38 2025-07-02 10:24:38 update status in workRecord success 邮件发送成功