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Expected behavior
When writing out a PDB file with MDAnalysis, the chains IDs in the PDB file are taken from the last character of the segid as documented here.
Actual behavior
Instead, the first character from segid is used as the chain ID in PDB files. From the source:
* fix#2224
* PDBWriter ChainID now from last character of segid
* Added docstrings, streamlined test code and updated CHANGELOG and AUTHORS
* Update AUTHORS
* Update CHANGELOG
Expected behavior
When writing out a PDB file with MDAnalysis, the chains IDs in the PDB file are taken from the last character of the segid as documented here.
Actual behavior
Instead, the first character from segid is used as the chain ID in PDB files. From the source:
Code to reproduce the behavior
Current version of MDAnalysis
python -V
)? 2.7.15The text was updated successfully, but these errors were encountered: