adding gasteiger charges to peptide
sx:21  sy:30  sz:28  
cx:5.872  cy:29.895  cz:-5.566  
start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
start thread 7<br>
start thread 8<br>
start thread 9<br>
start thread 10<br>
start thread 11<br>
one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=ahmedgamal_Soliman@agr.asu.edu.eg&time=20260516182532&rec=fold_andvswitzerlandhu_33372026_l_model_1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-05-16 23:29:49 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/20260516212020/screen ../lib/pdbqt/fdaapp_new 100 null none -1.695 -4.233 9.026 18 22 18 AF-Q05513-2-F1-model_v6.pdb 1924693008@qq.com 1> ../dock_file/Guest/bd-screen/20260516212020/screen/log.txt 2>../dock_file/Guest/bd-screen/20260516212020/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260516182532/screen fold_andvswitzerlandhu_33372026_l_model_1.pdb ahmedgamal_Soliman@agr.asu.edu.eg FDA-approved2026-04-22 22:27:22
2026-05-16 18:25:32
2026-05-07 22:30:35
2026-05-16 18:25:32
2026-05-07 22:34:44
2026-05-16 18:25:32
2026-05-16 18:11:25
2026-05-16 18:25:32
2026-05-16 18:25:32
2026-05-16 18:25:32

2026-05-16 18:25:32
update status in workRecord success
邮件发送成功