adding gasteiger charges to peptide
sx:14  sy:10  sz:7  
cx:-4.489  cy:21.945  cz:16.499  
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=981646026@qq.com&time=20260209103725&rec=7EBB2.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-15 05:04:08 28
('\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/981646026@qq.com/bd-screen/20260209103836/screen ../lib/pdbqt/fdaapp_new 100 null none -5.701 21.096 22.319 14 9 6 7EBB2.pdb 981646026@qq.com 1> ../dock_file/981646026@qq.com/bd-screen/20260209103836/screen/log.txt 2>../dock_file/981646026@qq.com/bd-screen/20260209103836/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/981646026@qq.com/bd-screen/20260209103725/screen 7EBB2.pdb 981646026@qq.com FDA-approved2026-01-30 13:27:30
2026-02-09 10:37:25
2026-01-30 13:27:30
2026-02-09 10:37:25
2026-01-30 13:27:30
2026-02-09 10:37:25
2026-01-30 13:27:30
2026-02-09 10:37:25
2026-01-30 13:27:30
2026-02-09 10:37:25
2026-01-30 13:27:30
2026-02-09 10:37:25
2026-02-09 10:10:56
2026-02-09 10:37:25
2026-02-09 10:36:34
2026-02-09 10:37:25
2026-02-09 10:37:25
2026-02-09 10:37:25
2026-02-09 10:38:36
2026-02-09 10:37:25
2026-02-09 10:38:36
2026-02-09 10:37:25
2026-02-09 10:46:22
2026-02-09 10:37:25
2026-02-09 10:47:24
2026-02-09 10:37:25
2026-02-09 10:49:17
2026-02-09 10:37:25
2026-02-09 10:52:08
2026-02-09 10:37:25
2026-02-09 10:55:20
2026-02-09 10:37:25
2026-02-09 10:58:48
2026-02-09 10:37:25

2026-02-09 10:37:25
update status in workRecord success
邮件发送成功