Macrocycle design - is it possible?

[ismorphism]

Hello, Reinvent team! I am really curious, is it possible to use REINVENT for Macrocycle design? LinkInvent does not allow to do such thing or maybe I am doing it wrong. Any possible ways to use Reinvent for Macrocycles? Thanks.

[halx]

Hi,

many thanks for your interest in REINVENT and welcome to the community!

That would require either a new model or creative code changes. There was a recent discussion, see #141, with code in an external repository. You could have a look if that works for you.

Many thanks,
Hannes.

[ismorphism]

@halx Thank you so much for the answer - I am going to check this solution 🙂