Skip to content

Contig string incompatible with --length range and other issues when designed ligand binder with protein motif #34

Description

@Mistletoe-git

Thanks your excellent work!!!

I encountered a issue when I run the example (ligand binder with protein motif) in README:
loaded RFDiffusionAA_paper_weights.pt
OVERRIDING: You are changing diffuser.T from the value this model was trained with.
[2025-01-16 21:07:08,867][inference.model_runners][INFO] - Loading checkpoint.
[2025-01-16 21:07:09,175][diffusion][INFO] - Using cached IGSO3.
[2025-01-16 21:07:09,188][main][INFO] - Making design output/ligand_protein_motif/sample_0
[2025-01-16 21:07:09,188][main][INFO] - making design 0 of 0:1
[2025-01-16 21:07:09,188][inference.model_runners][INFO] - Using contig: ['10-120', 'A84-87', '10-120']
Contig string incompatible with --length range

This is my code and I run it on Windows:
python run_inference.py
inference.deterministic=True diffuser.T=200\
inference.output_prefix=output/ligand_protein_motif/sample
inference.input_pdb=input/1haz.pdb
contigmap.contigs=['10-120,A84-87,10-120']
contigmap.length="150-150"
inference.ligand=CYC inference.num_designs=1
inference.design_startnum=0

I hope to get your advice, thank you!

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions