We are excited to have you contribute to PDB2PQR! If you have general questions about the code, please see the documentation and/or start a thread in the discussion forum. Once you have familiarity with the code, you're ready to start contributing:
Find a problem/feature that needs to be resolved in the code issues. If the problem you're trying to solve doesn't exist, create a Github issue to resolve some or all of the problem or to add features. For example, you could
- Fix a bug
- Add a new capability with 3 parts - create issue for each part it possible
- In general, make problem/feature small enough to finish it within a week or two
Create a git branch using the convention of github_user
/issue_#
where github_user
is your user name and issue_#
is the issue number from step 2 above.
Create a test that replicates the problem/feature and fails and show how your fix results in a working test. Work on the code until your test, as well as all previous tests, pass.
Run your code through the following steps:
- Commit your changes to Git and push your branch to the Github repo.
- Create a pull request and add reviewers (e.g.,
speleo3
,orbeckst
,sobolevnrm
, andintendo
) to the request. Reference the issue you are trying to fix in your pull request. - If the pull request passes Github Actions and peer review, then the branch will be merged with
main
, your branch will be deleted, and the development team will be very grateful for your contribution!
Thank you for considering to contribute to our code!