adding gasteiger charges to peptide
Sorry, there are no Gasteiger parameters available for atom receptor:A:PHE349:OXT
正在运行命令： perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/terina8204@gmail.com/bd-screen/20260218214610/screen ../lib/pdbqt/fdaapp_new 50 ../dock_file/terina8204@gmail.com/bd-screen/20260218214610/screen/ none 110.157 106.507 151.588 28 21 20 7um7_ligand.pdb terina8204@gmail.com 1> ../dock_file/terina8204@gmail.com/bd-screen/20260218214610/screen/log.txt 2>../dock_file/terina8204@gmail.com/bd-screen/20260218214610/screen/error.txt &
Error in opening ../dock_file/terina8204@gmail.com/bd-screen/20260218214610/screen/ifCocrystal.txtsx:28  sy:21  sz:20  
cx:110.157  cy:106.507  cz:151.588  
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=terina8204@gmail.com&time=20260218214610&rec=7um7_ligand.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-02-19 08:02:37 8
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/terina8204@gmail.com/bd-screen/20260218214610/screen 7um7_ligand.pdb terina8204@gmail.com FDA-approved2026-01-11 00:28:28
2026-02-18 21:46:10
2026-01-11 00:39:48
2026-02-18 21:46:10
2026-01-11 00:42:35
2026-02-18 21:46:10
2026-01-11 14:03:21
2026-02-18 21:46:10
2026-01-11 14:07:42
2026-02-18 21:46:10
2026-01-11 19:51:50
2026-02-18 21:46:10
2026-01-11 21:35:38
2026-02-18 21:46:10
2026-01-11 21:43:18
2026-02-18 21:46:10
2026-01-12 01:01:24
2026-02-18 21:46:10
2026-01-12 01:23:05
2026-02-18 21:46:10
2026-01-12 18:21:26
2026-02-18 21:46:10
2026-01-12 18:22:31
2026-02-18 21:46:10
2026-02-13 10:51:02
2026-02-18 21:46:10
2026-02-18 14:49:47
2026-02-18 21:46:10
2026-02-18 14:56:05
2026-02-18 21:46:10
2026-02-18 15:03:22
2026-02-18 21:46:10
2026-02-18 21:03:27
2026-02-18 21:46:10
2026-02-18 21:19:56
2026-02-18 21:46:10
2026-02-18 21:46:10
2026-02-18 21:46:10

2026-02-18 21:46:10
update status in workRecord success
邮件发送成功