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
or
source activate insilichem
5 - Run it!
gaudi
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
https://github.com/insilichem/gaudi
Options:
--version Show the version and exit.
-h, --help Show this message and exit.
Commands:
prepare Create or edit a GAUDI input file.
run Launch a GAUDI input file.
view Analyze the results in a GAUDI output file.