adding gasteiger charges to peptide
sx:20  sy:15  sz:23  
cx:-2.238  cy:-7.974  cz:-9.701  
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=Guest&time=20240402063601&rec=pcybdihydroroate.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2024-04-02 23:29:11 -5
开始运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/Guest/bd-screen/20240402085347/screen ../lib/pdbqt/pdbqt7kb_filter 200 null none 39.162 180.277 -119.624 15 25 17 4o32.pdb kutubuddinashraf@yahoo.com 1> ../dock_file/Guest/bd-screen/20240402085347/screen/log.txt 2>../dock_file/Guest/bd-screen/20240402085347/screen/error.txt &
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20240402063601/screen pcybdihydroroate.pdb muslahatunnessa@gmail.com FDA-experimentalupdate status in workRecord success
邮件发送成功