openmm / pdbfixer

PDBFixer fixes problems in PDB files
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Improved handling of insertion codes #184

Closed peastman closed 5 years ago

peastman commented 5 years ago

This fixes the issue described in https://github.com/pandegroup/pdbfixer/issues/170#issuecomment-511239668. It now handles that file correctly.

I was hoping this would also fix #154, but that file contains additional issues that pretty much make it impossible to correctly identify the missing residues without reading the REMARK sections. For example, chain L skips directly from residue 94 to 96, but does not consider there to be a missing residue in between them.