adding gasteiger charges to peptide
sx:17  sy:23  sz:19  
cx:-6.350  cy:-2.497  cz:-8.469  
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=lamisha.ibnat.ali@g.bracu.ac.bd&time=20260429003704&rec=p1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-04-29 04:23:40 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/20260428141044/screen ../lib/pdbqt/fdaapp_new 100 null none 29.354 28.270 -3.331 10 13 13 1ZYJ_Preparado.pdb rodolfo.abarca@uaem.mx 1> ../dock_file/Guest/bd-screen/20260428141044/screen/log.txt 2>../dock_file/Guest/bd-screen/20260428141044/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/lamisha.ibnat.ali@g.bracu.ac.bd/bd-screen/20260429003704/screen p1.pdb lamisha.ibnat.ali@g.bracu.ac.bd FDA-approved2026-04-29 00:37:04
2026-04-29 00:37:04

2026-04-29 00:37:04
update status in workRecord success
邮件发送成功