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: 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.
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
| Filename, size | File type | Python version | Upload date | Hashes |
|---|---|---|---|---|
| Filename, size cockatoo-0.6.2-py3-none-any.whl (26.8 kB) | File type Wheel | Python version py3 | Upload date | Hashes View |
| Filename, size cockatoo-0.6.2.tar.gz (342.8 kB) | File type Source | Python version None | Upload date | Hashes View |
