Generate a set of clusters from a PDB file



A program to break up a protein into small manageable pieces for quantum chemistry.

This command line tool uses Yoink-0.0.1 which is written using JAVA 1.8.

If the command line tool does not work, please check

Running the program

qr.cluster input.pdb

where input.pdb is the PDB model of your choice.

It defaults to max number of residues in each cluster being set to 15.

List of all available keywords