adding gasteiger charges to peptide
sx:10 sy:11 sz:9
cx:6.780 cy:-1.155 cz:-1.844
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/TCMML_pdbqtTCMML View result2026-05-08 07:13:07 13
('\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/20260507234143/screen ../lib/pdbqt/fdaapp_new 100 null none 30.089 3.082 -24.428 25 24 26 AF-Q7Z2W7-F1-model_v6.pdb adityameet8735@gmail.com 1> ../dock_file/Guest/bd-screen/20260507234143/screen/log.txt 2>../dock_file/Guest/bd-screen/20260507234143/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223444/screen OXA-23-79-Q9L4P2-F1-model_v6.pdb ahmedgamal_Soliman@agr.asu.edu.eg TCMML2026-04-22 22:27:22
2026-05-07 22:34:44
2026-05-07 22:30:35
2026-05-07 22:34:44
2026-05-07 22:34:44
2026-05-07 22:34:44
2026-05-07 22:34:44
update status in workRecord success
邮件发送成功