adding gasteiger charges to peptide sx:15 sy:15 sz:15 cx:-8.5 cy:-7.3 cz:2 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
start thread 1
../lib/pdbqt/fdaapp_newFDA-approved View result2026-02-16 03:32:42 17 ('\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/20260211133853/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 10.040 20.877 -16.847 24 23 25 AF-P13196-F1-model_v6.pdb 2241452450@qq.com 1> ../dock_file/Guest/bd-screen/20260211133853/screen/log.txt 2>../dock_file/Guest/bd-screen/20260211133853/screen/error.txt &') php ../php/sendResult_bd.php ../dock_file/amitiitg2011@gmail.com/bd-screen/20260211091432/screen ULDHF.pdb amitiitg2011@gmail.com FDA-approved2026-02-05 12:02:16 2026-02-11 09:14:32 2026-02-11 09:14:32 2026-02-11 09:14:32 2026-02-13 10:14:38 2026-02-11 09:14:32 2026-02-11 09:14:32 update status in workRecord success 邮件发送成功