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created db directory and added help messages (#402)
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* created db directory and added help messages

* clarified export

* added ws link

* fixed formatting
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mgiulini authored Apr 3, 2024
1 parent fda1b36 commit 0528ffc
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10 changes: 9 additions & 1 deletion README.md
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**A**utomatic **R**etrieval and **C**lus**T**ering of **I**nterfaces in Complexes from **3D** structural information

## WEB SERVER

ARCTIC-3D is available at this webserver https://wenmr.science.uu.nl/arctic3d/

## ARCTIC-3D: all you want to know about protein-specific interfaces

ARCTIC-3D is a software for data-mining and clustering of protein interface information. It allows you to retrieve all the existing interface information for your desired protein from the PDBE graph database (https://www.ebi.ac.uk/pdbe/pdbe-kb/), grouping similar interfaces in interacting surfaces.
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bash install_blast_deps.sh
```

And put `blastp` in your `$PATH`.
And put `blastp` in your `$PATH` by adding the following line to your `.bashrc` or `.bash_profile` file:

```bash
export PATH="PATH_TO_YOUR_ARCTIC3D_INSTALLATION/src/ncbi-blast-2.15.0+/bin:$PATH"
```

## Example usage

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6 changes: 6 additions & 0 deletions install_blast_deps.sh
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CWD="$(pwd)"
echo "Current working directory: ${CWD}"
DB_DIR=${CWD}/db
# if DB_DIR does not exist, create it
if [ ! -d "$DB_DIR" ]; then
mkdir -p "$DB_DIR"
fi
SRC_DIR=${CWD}/src
OS=$(uname -s)
echo "Operating System: ${OS}"
Expand All @@ -23,7 +27,9 @@ elif [ "${OS}" == "Linux" ]; then
BLAST_URL="https://ftp.ncbi.nlm.nih.gov/blast/executables/blast+/2.15.0/ncbi-blast-2.15.0+-x64-linux.tar.gz"
fi

echo "Downloading BLAST+ from ${BLAST_URL}..."
wget "$BLAST_URL" >/dev/null 2>&1
echo "BLAST downloaded in ${SRC_DIR}"

tar -xzf ncbi-blast-2.15.0+-x64-*.tar.gz
rm ncbi-blast-2.15.0+-x64-*.tar.gz
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