adding gasteiger charges to peptide
sx:16  sy:12  sz:19  
cx:20.4  cy:4.7  cz:-24.9  
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../lib/pdbqt/fdaapp_newFDA-approved<a href="screenresult_blinddock.php?user=Guest&time=20250519115423&rec=KHSRP.pdb.pdb&lib=FDA-approved" target="_blank" class="alert-link text-primary"> View result</a>2025-05-19 14:27:22 68
没有可运行的命令

('lines', [])
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update status in workRecord success
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