We have much improved Foldcomp since its first release
Features
Foldcomp CLI
- Multiple input file types including tarball, gzipped tar, and file lists
- Foldcomp now handles structure files with multiple chains or discontinous fragments.
- Reduced RMSD to ~0.08Ã… with default parameter
- Overwriting is forbidden by default and can be enabled with `--overwrite` or `-y`
- Reduced copying data by applying span range
Foldcomp Python API
- `get_data` is now available
- Given ids are checked when opening foldcomp database
Foldcomp Databases
- Added ESMatlas v2023_02: `esmatlas_v2023_02`
- Added AlphaFold DB cluster representatives ([AlphaFold database clustering](https://afdb-cluster.steineggerlab.workers.dev/))
- `afdb_rep_v4`: All cluster representatives
- `afdb_rep_dark_v4`: Dark cluster representatives
What's Changed
* Sync dev with master by khb7840 in https://github.com/steineggerlab/foldcomp/pull/10
* Sync with master by khb7840 in https://github.com/steineggerlab/foldcomp/pull/12
* Add recursive directory read-in mode by milot-mirdita in https://github.com/steineggerlab/foldcomp/pull/13
* Sync master with dev by khb7840 in https://github.com/steineggerlab/foldcomp/pull/16
* Input processor wip by khb7840 in https://github.com/steineggerlab/foldcomp/pull/21
* Updated to handle database input by khb7840 in https://github.com/steineggerlab/foldcomp/pull/22
**Full Changelog**: https://github.com/steineggerlab/foldcomp/compare/v0.0.2...v0.0.3