adding gasteiger charges to peptide sx:17 sy:10 sz:8 cx:14.261 cy:-12.977 cz:3.740 start thread 0
start thread 1
start thread 2
start thread 3
start thread 4
start thread 5
start thread 6
start thread 7
start thread 8
start thread 9
start thread 10
start thread 11
one step finished!start thread 0
../lib/pdbqt/fdaapp_newFDA-approved View result2025-07-19 04:31:30 29 ('\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/20250716152323/screen ../lib/pdbqt/fdaapp_new 100 null none 312.918 217.617 201.380 26 23 18 9bde.pdb 1139076996@qq.com 1> ../dock_file/Guest/bd-screen/20250716152323/screen/log.txt 2>../dock_file/Guest/bd-screen/20250716152323/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/1773131099@qq.com/bd-screen/20250716121424/screen 1.pdb 1773131099@qq.com FDA-approved2025-07-02 11:45:37 2025-07-16 12:14:24 2025-07-02 11:45:37 2025-07-16 12:14:24 2025-07-02 11:45:37 2025-07-16 12:14:24 2025-07-02 11:45:37 2025-07-16 12:14:24 2025-07-02 11:45:37 2025-07-16 12:14:24 2025-07-02 11:45:37 2025-07-16 12:14:24 2025-07-02 13:37:37 2025-07-16 12:14:24 2025-07-02 20:48:01 2025-07-16 12:14:24 2025-07-02 20:48:01 2025-07-16 12:14:24 2025-07-02 20:48:01 2025-07-16 12:14:24 2025-07-07 15:17:02 2025-07-16 12:14:24 2025-07-07 15:17:02 2025-07-16 12:14:24 2025-07-07 15:17:02 2025-07-16 12:14:24 2025-07-16 12:14:24 2025-07-16 12:14:24 2025-07-16 12:14:24 update status in workRecord success 邮件发送成功