How to install

Quick steps:

1 - Download the latest stable copy of UCSF Chimera and install it with:

chmod +x chimera-*.bin && sudo ./chimera-*.bin

2 - Install Miniconda Python 2.7 Distribution for your platform and install it with:

bash Miniconda2*.sh

3 - Install gaudi with conda in a new environment called insilichem (or whatever name you prefer after the -n flag), using these custom channels (-c flags):

conda create -n insilichem -c omnia -c salilab -c insilichem -c conda-forge -c bioconda -c tpeulen gaudi

4 - Activate the new environment as proposed:

conda activate insilichem


source activate insilichem

5 - Run it!


Check everything is OK

If everything went OK, you will get the usage screen:

Usage: gaudi [OPTIONS] COMMAND [ARGS]...

  GaudiMM: Genetic Algorithms with Unrestricted Descriptors for Intuitive
  Molecular Modeling

  (C) 2017, InsiliChem

  --version   Show the version and exit.
  -h, --help  Show this message and exit.

  prepare  Create or edit a GAUDI input file.
  run      Launch a GAUDI input file.
  view     Analyze the results in a GAUDI output file.