a-r-j / graphein

Protein Graph Library
https://graphein.ai/
MIT License
994 stars 125 forks source link

add additional hetatm info to pyg parser #397

Open a-r-j opened 1 month ago

a-r-j commented 1 month ago

Reference Issues/PRs

What does this implement/fix? Explain your changes

Imposes a better data structure on hetatm metadata with additional fields when using protein_to_pyg.

What testing did you do to verify the changes in this PR?

Pull Request Checklist

sonarcloud[bot] commented 1 month ago

Quality Gate Passed Quality Gate passed

Issues
0 New issues
0 Accepted issues

Measures
0 Security Hotspots
No data about Coverage
0.0% Duplication on New Code

See analysis details on SonarCloud