Unable to export PDB DFs with model_id columns
a-r-j opened this issue · 0 comments
a-r-j commented
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 amodel_id
column added to them. In the long term, I think it'd be good to have a fix merged into themaster
branch ofBioPandas
that types themodel_id
column as astr
->object
column, but this workaround I've proposed should work for now.
Originally posted by @amorehead in a-r-j/graphein#309 (comment)