adding gasteiger charges to peptide
sx:8  sy:6  sz:9  
cx:-25.969  cy:3.097  cz:-0.315  
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>
start thread 12<br>
start thread 13<br>
one step finished!start thread 0<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=Chenzhangren@ncu.edu.cn&time=20250626021258&rec=ELAVL1-AF-Q15717-F1-model_v4.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-06-27 08:52:19 98
('\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/Chenzhangren@ncu.edu.cn/bd-screen/20250626021331/screen ../lib/pdbqt/fdaapp_new 100 null none -7.400 -3.615 -26.663 7 11 4 ELAVL1-AF-Q15717-F1-model_v4.pdb Chenzhangren@ncu.edu.cn 1> ../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626021331/screen/log.txt 2>../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626021331/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/Chenzhangren@ncu.edu.cn/bd-screen/20250626021258/screen ELAVL1-AF-Q15717-F1-model_v4.pdb Chenzhangren@ncu.edu.cn TCMML2025-06-26 01:21:41
2025-06-26 02:12:58
2025-06-26 01:22:51
2025-06-26 02:12:58
2025-06-26 01:27:37
2025-06-26 02:12:58
2025-06-26 01:28:10
2025-06-26 02:12:58
2025-06-26 01:28:56
2025-06-26 02:12:58
2025-06-26 01:29:49
2025-06-26 02:12:58
2025-06-26 01:30:29
2025-06-26 02:12:58
2025-06-26 01:46:00
2025-06-26 02:12:58
2025-06-26 01:47:00
2025-06-26 02:12:58
2025-06-26 02:11:58
2025-06-26 02:12:58
2025-06-26 02:12:32
2025-06-26 02:12:58
2025-06-26 02:12:58
2025-06-26 02:12:58
2025-06-26 02:13:31
2025-06-26 02:12:58
2025-06-26 02:14:09
2025-06-26 02:12:58
2025-06-26 02:15:42
2025-06-26 02:12:58

2025-06-26 02:12:58
update status in workRecord success
邮件发送成功