pegi3s/tmtools 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 tmtools⁠, an algorithm for sequence independent protein structure comparisons. Starting with version 1.0.1, besides the metrics, the python script also outputs the alignment results.

⁠Using the tmtools image in Linux

You should adapt and run the following command: docker run -v /your/data/dir:/data pegi3s/tmtools bash -c "python script.py /data/PDB1.pdb /data/PDB2.pdb > /data/output"

In this command, you should replace:

• /your/data/dir to point to the directory where the two protein structures you want to analyze are located, in PDB format (*.pdb). Additionally, this will be the same directory where a folder with the results will be created.
• PDB1.pdb to point to the first PDB file.
• PDB2.pdb to point to the second PDB file.
• output to point to the folder where the results will be saved.