adding gasteiger charges to peptide
sx:11  sy:10  sz:19  
cx:2.135  cy:-7.102  cz:-19.090  
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>
start thread 12<br>
start thread 13<br>
start thread 14<br>
start thread 15<br>
start thread 16<br>
start thread 17<br>
start thread 18<br>
start thread 19<br>
start thread 20<br>
start thread 21<br>
start thread 22<br>
start thread 23<br>
one step finished!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>
start thread 12<br>
start thread 13<br>
start thread 14<br>
start thread 15<br>
start thread 16<br>
start thread 17<br>
start thread 18<br>
start thread 19<br>
start thread 20<br>
start thread 21<br>
start thread 22<br>
start thread 23<br>
../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=liesongchen@usc.edu.cn&time=20250320031003&rec=UUR10_0489.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2025-03-24 19:36:24 99
('\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/liesongchen@usc.edu.cn/bd-screen/20250320092914/screen ../lib/pdbqt/pdbqt7kb_filter 100 null none 2.135 -7.102 -19.090 11 10 19 UUR10_0489.pdb liesongchen@usc.edu.cn 1> ../dock_file/liesongchen@usc.edu.cn/bd-screen/20250320092914/screen/log.txt 2>../dock_file/liesongchen@usc.edu.cn/bd-screen/20250320092914/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/liesongchen@usc.edu.cn/bd-screen/20250320031003/screen UUR10_0489.pdb liesongchen@usc.edu.cn FDA-experimental2025-03-20 03:10:03
2025-03-20 03:10:03
2025-03-20 09:29:14
2025-03-20 03:10:03

2025-03-20 03:10:03
update status in workRecord success
邮件发送成功