Dear PG team,
I am interested in documentation of flags related to structure conditioning, like the ones highlighted in the title.
In particular, I am looking for an approach to the following use case:
seq="VNSHPAGIDRPGMLFSFRIPGAWSCAWSVQVYRKKYVIYIERVLREKANGTTVHVGIHXXXXXXXXXXDVRQQLFQELKGVRLPTDTLELTLGVT"
conda run -n proteingenerator python $pg/inference.py
--num_designs 5
--out conditioned
--sequence $seq
--n_cycle 10
--T 25 --save_best_plddt
Where the part of $seq highlighted in bold font should have a predefined structure (or close to a predefined one). E.g. I would like to provide a PDB file as scaffold for that part of the sequence.
Any advice will be highly appreciated!