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                                            Daniel Rademaker

Using a pdb file containing only one chain gives unexpected results

Hi Giulia, Thank you for checking. And yes I know it was not originally developed for this, Li tasked me me with implementing my GNN powered structural alignment algorithm in...

Allow for >20 types in `AminoAcid` class

> Hi Daniel, I can look into this. Having a 21st for 'other' should definitely be doable, but I will check if it can be open ended. > > Just...

Allow for >20 types in `AminoAcid` class

"Just out of curiosity, how is it possible that you have an amino-acid that is not part of the standard 20?" Well there are many more non-canonical amino-acids, for example...