adding gasteiger charges to peptide
sx:21  sy:23  sz:23  
cx:-14  cy:-6.5  cz:21.55  
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=xiangwang@scu.edu.cn&time=20260507140244&rec=protein_1.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-05-08 03:03:08 15
('\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/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223035/screen ../lib/pdbqt/TCMML_pdbqt 100 null none 11.193 -4.458 4.980 7 11 7 0xa51-222-A0A1U9ZNZ9-F1-model_v6.pdb ahmedgamal_Soliman@agr.asu.edu.eg 1> ../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223035/screen/log.txt 2>../dock_file/ahmedgamal_Soliman@agr.asu.edu.eg/bd-screen/20260507223035/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/xiangwang@scu.edu.cn/bd-screen/20260507140244/screen protein_1.pdb xiangwang@scu.edu.cn FDA-approved2026-05-07 11:11:35
2026-05-07 14:02:44
2026-05-07 14:02:44
2026-05-07 14:02:44

2026-05-07 14:02:44
update status in workRecord success
邮件发送成功