adding gasteiger charges to peptide sx:7 sy:11 sz:7 cx:-6.826 cy:7.893 cz:-7.660 start thread 0
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one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-23 11:51:12 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/Guest/bd-screen/20250721102518/screen ../lib/pdbqt/fdaapp_new 100 null none -11.719583 -5.789417 13.705667 16 16 16 5wqk_protein.pdb jiqing_ye@ahmu.edu.cn 1> ../dock_file/Guest/bd-screen/20250721102518/screen/log.txt 2>../dock_file/Guest/bd-screen/20250721102518/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/1344210408@qq.com/bd-screen/20250721092050/screen AF-Q9H2A7-F1-model_v4.pdb 1344210408@qq.com FDA-approved2025-06-28 02:17:23 2025-07-21 09:20:50 2025-06-30 22:43:15 2025-07-21 09:20:50 2025-07-02 10:24:38 2025-07-21 09:20:50 2025-07-17 11:10:53 2025-07-21 09:20:50 2025-07-21 09:20:50 2025-07-21 09:20:50 2025-07-21 09:20:50 update status in workRecord success 邮件发送成功