adding gasteiger charges to peptide
sx:6  sy:6  sz:9  
cx:7.466  cy:-1.693  cz:-3.790  
start thread 0<br>
start thread 1<br>
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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=Guest&time=20250730105130&rec=DfrB_2RK1_tetramer.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2025-07-31 07:32:09 2
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250730105130/screen DfrB_2RK1_tetramer.pdb alexis.bonneau-burke@umontreal.ca TCMML2025-07-01 18:46:33
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