cif bug: unable to read files that do not follow pdb_id.cif format

mittinatten / freesasa

C-library for calculating Solvent Accessible Surface Areas

http://freesasa.github.io/

MIT License

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Closed danny305 closed 2 years ago

danny305 commented 3 years ago

I found a bug in the cif functionality.

If the file is not of the format pdb_id.cif (example: 3nir.cif) it will fail.

I have patched it where all it checks is the first 4 characters for the pdb code.

This allows you to run files from other sources like the pdb-redo server (example: 3nir_final.cif)

I will submit PR shortly.

mittinatten commented 2 years ago

Fixed in #62