protein-structure
Workspace-level gateway for structure-oriented work. In this repo, the strongest local assets are the checked-out RFdiffusion and evo2 repositories plus Docker, not a ready-to-run AlphaFold/ColabFold desktop stack.
Quick Start
- Available local assets:
/home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion,/home/vimalinx/Projects/bio_studio/repositories/active/evo2,/usr/bin/docker - Fast availability check:
command -v colabfold_batch pymol chimera chimerax foldseek mmseqs fpocket - Current practical path: use repo-backed Docker workflows rather than assuming local GUI prediction tools exist
When To Use This Tool
- Deciding how to approach a protein-structure task in this workspace
- Routing between structure design (
RFdiffusion) and sequence-model analysis (evo2) - Auditing whether local structure-prediction tools are actually installed before planning around them
- Staging follow-on structure workflows once prerequisites are satisfied
Common Patterns
# Check which structure tools are really installed
command -v colabfold_batch pymol chimera chimerax foldseek mmseqs fpocket
# Use the local RFdiffusion repo for generative design
cd /home/vimalinx/Projects/bio_studio/repositories/active/RFdiffusion
./test_rfdiffusion.sh
# Inspect the local Evo 2 repo for sequence-model-based analysis
cd /home/vimalinx/Projects/bio_studio/repositories/active/evo2
python examples/run_evo2.py
Recommended Workflow
- Verify the required predictor or viewer is actually present before promising a structure workflow.
- If you need generative backbone or binder design, start from the local
RFdiffusionrepo. - If you need sequence-model scoring or embeddings on DNA-scale inputs, evaluate whether Evo 2 is the right supporting asset.
- Install missing prediction/visualization tools explicitly before planning around ColabFold, PyMOL, or Chimera-based steps.
Guardrails
colabfold_batch,pymol,chimera,chimerax,foldseek,mmseqs, andfpocketare not currently onPATHin this workspace.RFdiffusionis present locally, but its Docker image is not prebuilt yet.- The local Evo 2 repo exists, but direct
import evo2currently fails becausevortexis missing. - Do not present RFdiffusion as a native fold-prediction replacement; it is primarily a generative structure-design workflow.