adding gasteiger charges to peptide
sx:8  sy:10  sz:15  
cx:77.661  cy:15.799  cz:72.722  
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=rtjong@uw.edu&time=20260317105323&rec=1TUP_R248W.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-03-18 05:23:32 17
('\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/rtjong@uw.edu/bd-screen/20260317105552/screen ../lib/pdbqt/fdaapp_new 100 null none 53.298 -3.865 82.263 10 11 6 1TUP_R248W.pdb rtjong@uw.edu 1> ../dock_file/rtjong@uw.edu/bd-screen/20260317105552/screen/log.txt 2>../dock_file/rtjong@uw.edu/bd-screen/20260317105552/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/rtjong@uw.edu/bd-screen/20260317105323/screen 1TUP_R248W.pdb rtjong@uw.edu FDA-approved2026-03-06 23:25:48
2026-03-17 10:53:23
2026-03-10 19:45:44
2026-03-17 10:53:23
2026-03-10 19:47:49
2026-03-17 10:53:23
2026-03-11 00:21:32
2026-03-17 10:53:23
2026-03-11 14:09:34
2026-03-17 10:53:23
2026-03-13 10:50:59
2026-03-17 10:53:23
2026-03-13 10:52:14
2026-03-17 10:53:23
2026-03-13 11:19:05
2026-03-17 10:53:23
2026-03-13 11:20:09
2026-03-17 10:53:23
2026-03-13 11:21:26
2026-03-17 10:53:23
2026-03-16 22:52:51
2026-03-17 10:53:23
2026-03-17 10:52:47
2026-03-17 10:53:23
2026-03-17 10:53:23
2026-03-17 10:53:23
2026-03-17 10:53:23
2026-03-17 10:53:23
2026-03-17 10:55:52
2026-03-17 10:53:23
2026-03-17 10:56:37
2026-03-17 10:53:23

2026-03-17 10:53:23
update status in workRecord success
邮件发送成功