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douweschulte / pdbtbx

A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
https://crates.io/crates/pdbtbx
MIT License
49 stars 12 forks source link

Added model removal helper functions #103

Closed OWissett closed 1 year ago

OWissett commented 1 year ago

I have added some helper functions for removing models from a PDB. This is a common operation that I have been needing, so thought I would add it to the library.

I also fixed two of the tests which where failing due to issues with finding the PDB files, so they now use a path relative to the manifest to find the files, which should be more robust to files being moved around.

OWissett commented 1 year ago

New commit addresses above comments

douweschulte commented 1 year ago

Congratulations! Nice addition, I will merge it now.