EVmutation

[A]

Hello,

I would like to use EVcouplings to calculate the ΔE for 8000 variants in 1400 different proteins. I have a few questions about this programme and would be grateful if you could assist me.

1. To calculate ΔE values, it seems I need to run the 'align', 'couplings' and 'compare' stages before I can run 'mutate'. If the compare stage compares the predicted couplings to experimental structures, does this mean I am limited to predicting the effects of variants mapping to proteins with known structures?
2. From what I understand, your 2017 paper, entitled 'Mutation effects predicted from sequence co-variation', does not seem to perform the 'compare' stage. Is it possible to run EVcouplings 'mutate' with running 'compare'? Or would it be better to use the EVmutation package instead?

Warm regards,

Anushka