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.

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

Unable to export PDB DFs with model_id columns #124

Open
a-r-j opened this issue Apr 21, 2023 · 0 comments
Open

Unable to export PDB DFs with model_id columns #124

a-r-j opened this issue Apr 21, 2023 · 0 comments

Comments

@a-r-j
Copy link
Contributor

a-r-j commented Apr 21, 2023

Currently, PDB export breaks when model_id columns are added to the dataframe. This should be an easy fix by copying the dataframe and dropping any extraneous (i.e. non standard PDB colums) prior to parsing the output from the dataframe.

I also added a workaround that's needed when exporting (i.e., calling to_pdb() on) PandasPdb objects that have had a model_id column added to them. In the long term, I think it'd be good to have a fix merged into the master branch of BioPandas that types the model_id column as a str -> object column, but this workaround I've proposed should work for now.

Originally posted by @amorehead in a-r-j/graphein#309 (comment)

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant