adding gasteiger charges to peptide
sx:15 sy:22 sz:19
cx:131.920 cy:91.976 cz:90.731
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 result2026-02-28 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