A similarity metric for macromolecular crystallization conditions
What is cockatoo?
cockatoo is an implementation of a similarity metric used in the comparison of macromolecular crystallization conditions (or cocktails).
Documention is online at: http://ubccr.github.io/cockatoo/
Install with Conda
First download and installed either Anaconda or Miniconda.
Create a new conda environment, checkout the cockatoo source code, and install the dependencies:
$ conda create -c keiserlab -c rdkit -c sdaxen --name cockatoo-dev e3fp
$ conda activate cockatoo-dev
# Note on Linux may want to install ncurses if using Miniconda
$ conda install -c default ncurses
$ git clone git://github.com/ubccr/cockatoo.git cockatoo
$ cd cockatoo
$ pip install -e .
License
cockatoo is released under the GNU General Public License ("GPL") Version 3.0. See the LICENSE file.