Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Drop unexpected columns when writing PDB dataframes #124 #125

Open
wants to merge 12 commits into
base: main
Choose a base branch
from
Open

Drop unexpected columns when writing PDB dataframes #124 #125

wants to merge 12 commits into from

Conversation

a-r-j
Copy link
Contributor

@a-r-j a-r-j commented Apr 21, 2023

Code of Conduct

Description

Drop non standard columsn from ATOM and HETATM dataframes when exporting to a PDB file.

cc @amorehead

Related issues or pull requests

#124

Pull Request Checklist

  • Added a note about the modification or contribution to the ./docs/sources/CHANGELOG.md file (if applicable)
  • Added appropriate unit test functions in the ./biopandas/*/tests directories (if applicable)
  • Modify documentation in the corresponding Jupyter Notebook under biopandas/docs/sources/ (if applicable)
  • Ran PYTHONPATH='.' pytest ./biopandas -sv and make sure that all unit tests pass (for small modifications, it might be sufficient to only run the specific test file, e.g., PYTHONPATH='.' pytest ./biopandas/classifier/tests/test_stacking_cv_classifier.py -sv)
  • Checked for style issues by running flake8 ./biopandas

@a-r-j a-r-j changed the title Drop unexpected columsn when writing PDB dataframes #124 Drop unexpected columns when writing PDB dataframes #124 Jul 24, 2024
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers
No reviews
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
1 participant
@a-r-j