internal_documentation/RosettaMP Internal Mutate

Metadata

Questions and comments to:

Julia Koehler Leman (julia.koehler1982@gmail.com)
Corresponding PI: Jeffrey J. Gray (jgray@jhu.edu)

Last Updated: 8/19/15

Algorithm Description

This application makes a mutation and then repacks the mutation site for a soluble protein. The score function it uses is talaris2014. The mutation is on the command line (-mp:mutate_relax:mutation)

Code and Demo

The application can be found at apps/pilot/jkleman/mutate.cc.

Run the application

Example flags:

Rosetta/main/source/bin/mp_mutate_relax.macosclangrelease \
-database Rosetta/main/database \
-in:file:s 1AFO_tr.pdb \

# specified mutation to make. (This is not for MPs, I just hijacked it's flag for now!)
-mp:mutate_relax:mutation A163F