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Update README.md
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added a few lines about the successful predictions from AF_Cluster
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DevlinaC authored Sep 20, 2024
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3. Run AF-cluster to generate clusters and shallow MSAs.
4. Feed the shallow MSAs to ColabFold generate predictions.

## example Bash commands/scripts for the steps
## Example Bash commands/scripts for the steps
Step1 –
Create a batch input file (e.g., colabfold-search.sh) to create the MSAs:
"#!/bin/bash
Expand All @@ -29,3 +29,10 @@ colabfold_batch --num-relax 50 --num-seeds 10 --amber --use-gpu-relax 0_msas 0_m

Run the batch file.
sbatch --time=48:00:00 --cpus-per-task=8 --mem=48g --gres=lscratch:100,gpu:a100:1 --partition=gpu run_colabfold_0.sh

## Successful predictions generated from AF_cluster added
Please combine and uncompress the these files as follows -

"cat afcluster_success.tar.gz.aa afcluster_success.tar.gz.ab afcluster_success.tar.gz.ac afcluster_success.tar.gz.ad afcluster_success.tar.gz.ae | tar xvfz -"

The resulting folder will have details on the protein pairs as a .CSV file and sub-folders with PDB structures (predictions), PyMol sessions of the successful predictions.

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