Rodrigo Vargas Honorato

Results 7 issues of Rodrigo Vargas Honorato

**Describe the bug** `pdb_tidy` removes the `TER` record between chains and removes last `ENDMDL` in a multi-model PDB. **To Reproduce** 1. test.pdb ```text MODEL 1 ATOM 1 N THR A...

bug

While using `create_cif.py`, the resulting `.cif` has a different numbering than the input `.pdb`, Green: input .pdb Cyan: output .cif ![Screenshot 2021-03-05 at 13 24 12](https://user-images.githubusercontent.com/9445814/110115301-2c8ead80-7db6-11eb-815f-c27e6d646f3c.png)

bug

With it we can score chi2, Rg, or Dmax, and combine it with the haddock-score.

feature
m|saxsscore

This PR does some minor simplification on the return types of some functions. This is not a comprehensive change since there are several functions that have very complex returns and...

refactor

Currently the API endpoints are spread troughout the code; ```python from arctic3d.modules.pdb import BESTPDB_URL, PDBE_URL from arctic3d.cli_localise import UNIPROT_API_URL from arctic3d.modules.interface import LIGAND_URL ``` It would be easier to maintain...

refactor

Some functions might return a `None` type that is not handled downstream, we should add checks for those; - `get_cif_dict` - `fetch_updated_cif` - `validate_api_hit`, argument `fetch_list` - `get_maxint_pdb` - `get_best_pdb`

refactor