dauparas / ProteinMPNN

Code for the ProteinMPNN paper
MIT License
1.05k stars 307 forks source link

How do I use a PSSM with proteinMPNN? #90

Open proteins247 opened 9 months ago

proteins247 commented 9 months ago

Hello,

I don't quite understand the examples for using a PSSM. I generated an ASCII PSSM with psi-blast, but that doesn't seem to be the format that is used by the example scripts. There seems to be two helper scripts:

In the former, it expects a PSSM in the form of npz files. Could that format be explained, or how can I convert my ASCII PSSM into that format?

In the latter, the script appears to be an example to be modified, since it points to file paths that existed for the creator of the script. Even so, the parse_pssm function within that script doesn't seem to be read my ASCII PSSM. I could adjust my script, but I am feeling like I have the wrong format for that script, as well.