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1. Install:

   pip install EESMHM

2. Download Modeller:https://salilab.org/modeller/download_installation.html
   • for Conda enviroment:

        conda config --add channels salilab        conda install modeller

3. Download EvoEF (https://github.com/tommyhuangthu/EvoEF).

4. Download foldx (https://foldxsuite.crg.eu/).

The config.txt is used to guide the mutations and is organzied in two parts

part 1: paths

#foldx {foldx path}#evoef {evoef path}

part 2: mutation config:1 letter amino acid coderesidue numbercomma seprated list of amino acids to mutate to or * for all

If left empty all interface positions will be mutated.

• -pdb: RCSB PDB id, if not provided you will be prompted to select one. If it is is in the current working directory it will be used. Otherwise it will be downloaded from the RCSB.
• -qc: Query chain to mutate.
• -ic: Partner chain.
• -config: config file path
• -foldx: foldx path
• -evoef: Evoef path