pegi3s/scannet repository overview

⁠This image belongs to a larger project called Bioinformatics Docker Images Project (http://pegi3s.github.io/dockerfiles⁠)

⁠(Please note that the original software licenses still apply)

This image facilitates the usage of ScanNet⁠, a protein binding site prediction tool.

⁠Using the ScanNet image in Linux

You should adapt and run the following command: docker run --rm -v /your/data/dir:/data pegi3s/scannet conda run --no-capture-output -n scannet python3 /usr/local/bin/main.py /data/pdbFile --noMSA --predictions_folder /data/output

In this command, you should replace:

• /your/data/dir to point to the directory that contains the input file(s).
• pdbFile to the actual name of your PDB file, PDB ID, or Uniprot ID (with optional _chain suffix).
• output to the actual name of your output directory.

To see the ScanNet⁠ help, just run docker run --rm pegi3s/scannet conda run --no-capture-output -n scannet python3 /usr/local/bin/main.py --help.