adding gasteiger charges to peptide
sx:21  sy:13  sz:12  
cx:42.042  cy:94.430  cz:16.834  
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one step finished!start thread 0<br>
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20260505171900&rec=4OMT.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2026-05-06 09:32:28 12
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20260505171900/screen 4OMT.pdb rodolfo.navarro3745@alumnos.udg.mx FDA-approved2026-04-06 14:35:11
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