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.
1 maintainer
Metadata
1 maintainer
Release files for cockatoo 0.6.2
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| cockatoo-0.6.2.tar.gz | 342.8 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| cockatoo-0.6.2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 369.6 kB
Release files / cockatoo-0.6.2.tar.gz
| Download URL | cockatoo-0.6.2.tar.gz |
|---|---|
| Size | 342.8 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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twine/1.13.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.0.1 requests-toolbelt/0.9.1 tqdm/4.32.2 CPython/3.6.8
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Release files / cockatoo-0.6.2-py3-none-any.whl
| Download URL | cockatoo-0.6.2-py3-none-any.whl |
|---|---|
| Size | 26.8 kB |
| Tags | Python 3 |
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SHA-256 checksum How to use checksums |
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| Uploaded via |
twine/1.13.0 pkginfo/1.5.0.1 requests/2.22.0 setuptools/41.0.1 requests-toolbelt/0.9.1 tqdm/4.32.2 CPython/3.6.8
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