Conditioning on AA composition

[AlexWindels]

Hi,

Amazing work you all did developing Chroma. Whilst playing around, I was wondering if there's a way to condition the sequence/structure on residue content. So for example if it is possible to bias the composition towards alanine and serine, representing x% and y% of all residues respectively?

Best,

Alex

[wujiewang]

Hey, that is an interesting idea! You could try this by modifying the SequenceConditioner and compute a differential restraint energy that penalize deviation from target composition, not sure how well that will work though, but an interesting project idea for our Condition ecosystem!

[wujiewang]

Closing this for now, but feel free to reopen if you have more to discuss.