Installation

MolVS supports Python versions 2.7 and 3.5+.

There are a variety of ways to download and install MolVS.

Option 2: Use pip

An alternative method is to install using pip:

pip install molvs

This will download the latest version of MolVS, and place it in your site-packages folder so it is automatically available to all your python scripts.

Note

MolVS requires RDKit, which cannot be installed using pip. On the Mac, you can use Homebrew:

brew tap mcs07/cheminformatics
brew install rdkit

The official RDKit documentation has installation instructions for a variety of platforms.

Option 3: Download the latest release

Alternatively, download the latest release manually and install yourself:

tar -xzvf MolVS-0.1.1.tar.gz
cd MolVS-0.1.1
python setup.py install

The setup.py command will install MolVS in your site-packages folder so it is automatically available to all your python scripts.

Option 4: Clone the repository

The latest development version of MolVS is always available on GitHub. This version is not guaranteed to be stable, but may include new features that have not yet been released. Simply clone the repository and install as usual:

git clone https://github.com/mcs07/MolVS.git
cd MolVS
python setup.py install