Open stephaniewankowicz opened 1 year ago
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)
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)