MolVS supports Python versions 2.7, 3.4 and 3.5.
MolVS requires RDKit to be installed. On Mac OS X, this is easiest with Homebrew:
brew tap mcs07/cheminformatics brew install rdkit
The official RDKit documentation has installation instructions for a variety of platforms.
There are a variety of ways to download and install MolVS.
Option 1: Use pip (recommended)¶
The easiest and recommended way to install is 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.
If you don’t already have pip installed, you can install it using get-pip.py:
curl -O https://raw.github.com/pypa/pip/master/contrib/get-pip.py python get-pip.py
Option 2: Download the latest release¶
Alternatively, download the latest release manually and install yourself:
tar -xzvf MolVS-0.0.9.tar.gz cd MolVS-0.0.9 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 3: 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