How to predict the Cyclic Peptide's structure by a given sequence

[aar-d-vark]

Nice work! I can successfully run the Sequence Redesign and De novo Hallucination for Cyclic peptide, but I have no idea about how to do the prediction of the Cyclic Peptide's structure with the sequence. Did I miss something?

[ahof1704]

have you found out how to run the prediction for a given sequence?

[sokrypton]

The prediction function can be found here: https://colab.research.google.com/github/sokrypton/ColabDesign/blob/gamma/af/examples/predict.ipynb

See end of the notebook on information how to specify cyclic constraints.

[ahof1704]

Fantastic! Thank you very much.

Following the script you shared, I managed to get a cyclic structure like shown in A (figure below). Do you know how/where could constrains the prediction to get something like shown in B?