BioPandas / BioPandas/biopandas
Mol2 files bonds
Open
enhancement
- Dominant language
- Python
- Stars
- 756
- Forks
- 119
- Avg merge
- 23h 8m
- Merged PRs (30d)
- 2
Description
PandasMol2().read_mol2() reads and parses a mol2 file, however, in the dataframe, only the @ATOM section is present. Is there any way to access the bonds?
Thanks
Botond
Contributor guide
Research direction
Start at PandasMol2().read_mol2() and inspect how the @ATOM section is parsed into the dataframe. Trace the handling of the mol2 bond section and define the resulting dataframe access; done means bond records are available alongside the parsed atom data.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- pandas, python
- Domain
- bioinformatics, data
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 42/100