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Duplicate HETATMS #355

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stephaniewankowicz opened this issue Jun 26, 2023 · 0 comments

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stephaniewankowicz commented Jun 26, 2023

This has long been known to be an issue with qFit, but we often duplicate HETATMs (hence the remove duplicate function in qFit refinement).
original_pdb.pdb.txt
multiconformer_model2.pdb.txt

This issue is to track down why this occurring in qFit protein in the first place!

Attached are two PDB examples (input & multiconf_model2.pdb)

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