RosettaCommons / RosettaCommons/RFdiffusion

the chainA of design_ppi_X.pdb file in output all is GGGGGG....

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Python
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Description

Is it normal that the chain a in the design_ppi_ X.pdb file of the output result is GGGGG..?

run command:
python ./scripts/run_inference.py inference.output_prefix=example_outputs/design_ppi inference.input_pdb=examples/input_pdbs/insulin_target.pdb 'contigmap.contigs=[A1-150/0 70-100]' 'ppi.hotspot_res=[A59,A83,A91]' inference.num_designs=10 denoiser.noise_scale_ca=0 denoiser.noise_scale_frame=0

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Research direction

Start by reproducing the command with scripts/run_inference.py and inspect the generated design_ppi_X.pdb files, especially chain A, alongside examples/input_pdbs/insulin_target.pdb. Determine whether the repeated G sequence is expected for this inference configuration; done means establishing the cause and documenting or correcting the unexpected output.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
bioinformatics, machine-learning
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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