PyCIF is a python module for reading from, writing to, and manipulating International Union of Crystallography (IUCr) CIF-formatted data files.
This software is a collaborative effort among Nicola B. DiPalma, Oliver Tschauner, Ph.D., and scientists at the University of Nevada, Las Vegas High Pressure Science and Engineering Center (HiPSEC). This software is intended to augment current data analysis capabilities at HiPSEC and is freely available through this repository for use by members of the scientific community.
Code in this script has been composed in a self-documenting fashion and styled for readability where possible. Comments have been placed within source where readability is limited, and where functionality is a direct consequence of material esoteric to crystallographic study.
This version of pycif was developed using Python version 3.x on Mac OSX v10.9.x; included modules have not yet been tested in the Microsoft Windows environment as of this writing.
To use scripts included in this repository:
- Install Python 3.x from the Python website or via Homebrew if you don't have it already.
- Clone this repository to your machine.
- Add the directory containing the cloned repository to your $PATH.
- Then, enter the module you want to use in the terminal, with options.
To get your machine ready for development with this repository:
- Install Python 3.x from the Python website or via Homebrew if you don't have it already.
- Clone this repository to your machine.
- Navigate to the directory you cloned your repository to.
- Open the repository in IDLE, Sublime Text, or your favorite editor/development environment.
Viola! You're good to go!