RosettaCommons / RosettaCommons/RFdiffusion
issue with xyz_motif_prealign
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Description
Hello,
I am trying to remodel a part of my protein (between 20th and 40th amino acid) with a partial diffusion.
srun -p gpu --qos=gpu --gpus=1 --cpus-per-task=8 run_inference.py inference.input_pdb=my_protein.pdb 'contigmap.contigs=[A1-19/20/A40-174]' diffuser.partial_T=20 potentials.guide_scale=1 'potentials.guiding_potentials=["type:substrate_contacts,s:1.5,r_0:6,rep_r_0:4.0,rep_s:1.5,rep_r_min:1"]' potentials.substrate=UNC inference.ckpt_override_path=${RFD_MODELS}/Base_ckpt.pt
But I receive this error message:
UnboundLocalError: local variable 'xyz_motif_prealign' referenced before assignment
Does anyone know why ? And how to fix it ?
Thanks in advance,
Jeanne.
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
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Research direction
Start with run_inference.py and reproduce the reported command using the supplied protein, contig map, partial diffusion settings, and checkpoint path. Trace where xyz_motif_prealign is read before assignment, then verify that the command completes without the UnboundLocalError and performs the requested partial diffusion.
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Assessment
- Tech stack
- python
- Domain
- machine-learning
- Issue type
- Bug
- Difficulty
- 4/5
- Estimated time
- 3-5 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100