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update readme
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Han Zhu committed Sep 24, 2024
1 parent 6bf8b23 commit 1b7a0ae
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11 changes: 9 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -39,8 +39,15 @@ python main.py -F ./Class3D/job052/class1.mrc ./Class3D/job052/class2.mrc ./Clas
-n: Number of intializations (Optional, 3 by default)
```

## Example for Auto Contouring
## Example for GMM Auto Contouring for Rough Masking

```
python gmm_contour.py -i ./Class3D/job052/class1.mrc -o ./output_folder -p
python contour.py -i ./Class3D/job052/class1.mrc -o ./output_folder -p
```


## Example for CryoREAD Auto Refinement Masking

```
python contour.py -i ./Class3D/job052/class1.mrc -o ./output_folder -p
```
5 changes: 4 additions & 1 deletion contour.py
Original file line number Diff line number Diff line change
Expand Up @@ -28,7 +28,7 @@ def run_cryoREAD(mrc_path, output_folder, batch_size=4, gpu_id=None):
f"--gpu={gpu_id}",
f"--batch_size={batch_size}",
f"--prediction_only",
f"--resolution=3",
f"--resolution=3.0",
f"--output={output_folder}",
]
os.system(" ".join(cmd))
Expand Down Expand Up @@ -255,6 +255,9 @@ def gmm_mask(input_map_path, output_folder, num_components=2, use_grad=False, n_
batch_size=args.batch_size,
gpu_id=args.gpu_id,
)

final_protein_prob = os.path.join(args.output_folder, "2nd_stage_detection", "chain_protein_prob.mrc")

else:
revised_contour, mask_percent = gmm_mask(
input_map_path=args.input_map_path,
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