adding gasteiger charges to peptide
sx:18  sy:30  sz:25  
cx:-8.214  cy:3.427  cz:-11.571  
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/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=1005981431@qq.com&time=20250729224321&rec=1fold_acidobacteria_bacterium_ellin345_model_0.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-30 14:47:49 2
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/1005981431@qq.com/bd-screen/20250729224321/screen 1fold_acidobacteria_bacterium_ellin345_model_0.pdb 1005981431@qq.com TCMML2025-07-29 22:40:56
2025-07-29 22:43:21
2025-07-29 22:43:21
2025-07-29 22:43:21

2025-07-29 22:43:21
update status in workRecord success
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