adding gasteiger charges to peptide
sx:14  sy:5  sz:9  
cx:-5.503  cy:-4.085  cz:25.327  
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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=20250523162738&rec=F-nucleatum-ATPI.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-24 07:36:35 68
没有可运行的命令

('lines', [])
php ../php/sendResult_bd.php ../dock_file/Guest/bd-screen/20250523162738/screen F-nucleatum-ATPI.pdb fawah@gradcenter.cuny.edu FDA-approved2025-04-24 08:14:45
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update status in workRecord success
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