multimer design？

[zhimingzhang275]

Hi, thanks for releasing NA-MPNN — this is a very exciting project.

I was wondering whether NA-MPNN currently supports multimer / multi-chain design and inference.If multimer support is available, are there any recommended settings, example scripts, tutorials ?

[AndrewKubaney]

Hello!

NA-MPNN does support multimer / multi-chain design. The same settings used for monomer design should generally work for multimer design as well; you can input a PDB with multiple nucleic acid chains and NA-MPNN will design a sequence for each chain.

The main difference is the output format: each chain's sequence in the FASTA output is separated by a '/' character.

For symmetric or tied design, --symmetry_residues and --symmetry_weights might be useful!