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sokrypton / ColabDesign

Making Protein Design accessible to all via Google Colab!
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Homooligomer design in ProteinMPNN #96

Closed alessandronascimento closed 1 year ago

alessandronascimento commented 1 year ago

Hi developers,

First, thanks for this awesome tool! I'm just starting to use it!

In first tests, I tried to design a sequence from a structure using a GTPase (PDB ID 6N12, chains A and B). However, I'm getting this error message below in cell "Run ProteinMPNN to design new sequences for given backbone". I tried different PDB files with same issue.

Any ideas about what could be going on and hot to get around it?

Thanks in advance,

Alessandro

AssertionError Traceback (most recent call last)

in [/content/colabdesign/mpnn/model.py](https://localhost:8080/#) in prep_inputs(self, pdb_filename, chain, homooligomer, ignore_missing, fix_pos, inverse, rm_aa, verbose, **kwargs) 80 81 if homooligomer: ---> 82 assert min(self._lengths) == max(self._lengths) 83 self._tied_lengths = True 84 self._len = self._lengths[0] AssertionError:
sokrypton commented 1 year ago

This means the two chains are of different length. You'll first need to modify the pdb so they are the same.

alessandronascimento commented 1 year ago

Thanks a lot @sokrypton ! Makes a lot of sense!!!

I'm closing the issue!

All the best!