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mittinatten committed Oct 29, 2021
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Expand Up @@ -4,24 +4,31 @@ FreeSASA uses semantic versioning. Changelog added for versions 2.x

## 2.1.0-beta

The new features in this release were created on initiative by and in collaboration
with [Danny Diaz](https://github.com/danny305).

### Added

- Support for mmCIF input with the CLI option `--cif`.
- Support for mmCIF input with the CLI option `--cif`.
- The CLI was ported to C++ to allow using Gemmi for CIF import.
- Gemmi is imported as a git submodule, see README for details.
- A test runner was added to verify that CIF and PDB input files
give the same result.
- The C API does not support CIF for now (this would require conversion to C++).
- Add output option `--format=cif` that can be used when input is mmCIF.
See documentation for an example.
- Added VdW-radii for all elements.
- Using values from Gemmi when missing in paper by Mantina et al.
- Correct Mg radius from 1.74 to 1.73 Å.

### Fixed

- Fix bug in JSON output where relative SASA for amino acids without sidechan
were written as `NaN`, which is not valid JSON. These values are now
simply skipped.
- Fix bug where elements with H or D as second element, such as CD, were classified
- Fix bug where elements with H or D as second letter, such as CD, were classified
as hydrogens.
- Change some type definitions to be more C++ friendly.

## 2.0.3

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