adding gasteiger charges to peptide
sx:21  sy:27  sz:19  
cx:41.975  cy:-2.094  cz:-21.569  
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>
../lib/pdbqt/pdbqt7kb_filterFDA-experimental<a href="screenresult_blinddock.php?user=gongjx2023@smu.edu.cn&time=20250804221224&rec=tmdomain3.pdb&lib=FDA-experimental" target="_blank" class="alert-link text-primary"> View result</a>2025-08-05 04:47:56 2
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/gongjx2023@smu.edu.cn/bd-screen/20250804221224/screen tmdomain3.pdb gongjx2023@smu.edu.cn FDA-experimental2025-08-04 22:12:24
2025-08-04 22:12:24

2025-08-04 22:12:24
update status in workRecord success
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