Skip to main content

cockatoo - A similarity metric for macromolecular crystallization conditions

Project description

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:

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:// cockatoo
    $ cd cockatoo
    $ pip install -e .


cockatoo is released under the GNU General Public License ("GPL") Version 3.0. See the LICENSE file.

Project details

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

cockatoo-0.6.2.tar.gz (342.8 kB view hashes)

Uploaded source

Built Distribution

cockatoo-0.6.2-py3-none-any.whl (26.8 kB view hashes)

Uploaded py3

Supported by

AWS AWS Cloud computing Datadog Datadog Monitoring Facebook / Instagram Facebook / Instagram PSF Sponsor Fastly Fastly CDN Google Google Object Storage and Download Analytics Huawei Huawei PSF Sponsor Microsoft Microsoft PSF Sponsor NVIDIA NVIDIA PSF Sponsor Pingdom Pingdom Monitoring Salesforce Salesforce PSF Sponsor Sentry Sentry Error logging StatusPage StatusPage Status page