### Using Local Colabfold_search to Generate Protenix-Compatible MSA | |
Colabfold provides an easy-to-use and efficient MSA search pipeline that's ideal for generating MSAs during inference. Unfortunately, this pipeline cannot fully match Protenix's MSA search process designed for training, as the current `colabfold_search` omits species information in the MSA, preventing correct pairing by Protenix's data pipeline. To address this issue, we provide the `scripts/colabfold_msa.py` script, which post-processes `colabfold_search` results by adding pseudo taxonomy IDs to paired MSAs to match Protenix's data pipeline. | |
Here's an example: | |
```bash | |
python3 scripts/colabfold_msa.py examples/dimer.fasta <path/to/colabfold_db> dimer_colabfold_msa --db1 uniref30_2103_db --db3 colabfold_envdb_202108_db --mmseqs_path <path/to/mmseqs> | |
``` | |
#### Configuring Colabfold_search | |
Installation of colabfold and mmseqs2 is required. | |
colabfold can be installed with: `pip install colabfold[alphafold]`. | |
Build MMseqs2 from source: | |
```bash | |
wget https://github.com/soedinglab/MMseqs2/archive/refs/tags/16-747c6.tar.gz | |
tar xzf 16-747c6.tar.gz | |
cd MMseqs2-16-747c6/ | |
mkdir build && cd build | |
cmake -DCMAKE_BUILD_TYPE=RELEASE -DCMAKE_INSTALL_PREFIX=. .. | |
make -j8 | |
make install | |
``` | |
Download ColabFold database: | |
```bash | |
git clone https://github.com/sokrypton/ColabFold.git | |
cd ColabFold | |
# Configure database: | |
MMSEQS_NO_INDEX=1 ./setup_databases.sh <path/to/colabfold_db> | |
``` | |