hi, i am using the rfdiffusion to design a peptide binder targeting the center pore of a pentamer protein (in the pentamer protein, each monomer contains four chains). this center pore is formed by 5 same chains (chain C) symmetricly as shown in the following image. the hot spots are two residues in each chain.
the script i use for the design:
source /home/user/miniconda3/etc/profile.d/conda.sh
conda activate SE3nv
python -u scripts/run_inference.py
inference.output_prefix="$RFD_OUTPUT_DIR/ppi"
inference.symmetry=c5
inference.input_pdb="/home/user/Desktop/test/3vbs.pdb"
'contigmap.contigs=[C1-11/0 12]'
'ppi.hotspot_res=[C6,C11]'
inference.num_designs=10
denoiser.noise_scale_ca=0
denoiser.noise_scale_frame=0
The output file always contains only one chain as target, not the pentamer pore.
How to modify the script to let it set the bind target as pentamer, not monomer?
