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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_idcolumn added to them. In the long term, I think it'd be good to have a fix merged into themasterbranch ofBioPandasthat types themodel_idcolumn as astr->objectcolumn, but this workaround I've proposed should work for now.
Originally posted by @amorehead in a-r-j/graphein#309 (comment)
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