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AFDB README
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ChenShengsGitHub committed Sep 24, 2024
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**For EModelX**:
`python run.py --protocol=temp_free --EM_map=data/inputs/maps/emd_32336.map.gz --fasta=data/inputs/fastas/7w72 --output_dir=data/outputs --run_pulchra --pulchra_path modules/pulchra304/src/pulchra`

**For EModelX(+AF)**, now we support automatically download most similar alphafold structure from alphafoldDB within a certain similarity cutoff:
**For EModelX(+AF)**, now we support automatically download the most similar alphafold structure from alphafoldDB within a certain similarity cutoff:
`python run.py --protocol=temp_flex --EM_map=data/inputs/maps/emd_32336.map.gz --fasta=data/inputs/fastas/7w72 --template_dir=data/inputs/templates --download_afdb --afdb_allow_seq_id 0.95 --output_dir=data/outputs --run_pulchra --pulchra_path=modules/pulchra304/src/pulchra`
, where you can replace `--EM_map` with your target EM map
, and `--fasta` with your target fasta
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**Notice:** If you want to run **EModelX(+AF)**, please either use `--download_afdb` or prepare the `--template_dir` by yourself. To prepare the `--template_dir` by yourself, please follow our example in `./inputs/templates`. More detailedly, you need to prepare a directory with a consistent name matching the header lines in the fasta file, and the PDB file needed to be renamed as ranked_0.pdb.

## Postprocess by phenix.real_space_refinement
## To enable postprocessing by phenix.real_space_refinement
### Environment
Install phenix following <https://phenix-online.org/> into a directory, e.g. `modules/phenix-1.20.1-4487`

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