adding gasteiger charges to peptide
sx:10  sy:14  sz:11  
cx:-46.021  cy:-5.027  cz:35.562  
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/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=mdkaisar.ali@outlook.com&time=20260419145009&rec=NINJ2-WT.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-04-19 16:56:44 12
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/mdkaisar.ali@outlook.com/bd-screen/20260419145009/screen NINJ2-WT.pdb mdkaisar.ali@outlook.com TCMML2026-04-19 14:50:09
2026-04-19 14:50:09

2026-04-19 14:50:09
update status in workRecord success
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