Skip to content

INSTALL.md

Latest commit

 

History

History
45 lines (32 loc) · 1015 Bytes

INSTALL.md

File metadata and controls

45 lines (32 loc) · 1015 Bytes

Installation details

Set up a python environment using (ana)conda (tested with Linux & Mac)

# Build a dedicated python 3.6 environment
conda create --name pyenv python=3.6

# Activate the newly created environment
source activate pyenv  # For Linux and Mac OSs

# Install needed mandatory libraries
conda install --yes --channel rdkit rdkit
conda install --yes --channel anaconda graphviz
conda install --yes pandas lxml cairo  # cairo for compound depictions
yes | pip install graphviz pydotplus image

# Rdkit issue with picture generation
# conda install --channel rdkit cairocffi (might be not necessary)

Install graphviz binaries

  • For ubuntu:

    apt-get install graphviz

  • For Mac OS (using HomeBrew):

    brew install graphviz
    # Or one can try (not tested)
# brew install graphviz --with-bindings --with-freetype --with-librsvg --with-pangocairo

    Reconfigure graphviz if needed:

    sudo dot -c