Diffraction plugin for GenIce.
Project description
# genice-diffr
A [GenIce](https://github.com/vitroid/GenIce) plugin for visualizing the structure factor in 3D.
## Requirements
[GenIce](https://github.com/vitroid/GenIce) >=0.23.
[yaplotlib](https://github.com/vitroid/yaplotlib) >=0.1.
[contour3d](https://github.com/vitroid/contour3d) >=0.1.
## Installation
### System-wide installation
% make install
### Private installation
Copy the files in genice_diffr/formats/ into your local formats folder of GenIce.
## Usage
% genice 1c -r 3 3 3 -f _Diffr[25.0,50.0] > 1c.diffr.yap % yaplot 1c.diffr.yap
[25.0,50.0] are the threshold values for rendering the contour. Default value is 5.0. Currently, the output format is in [Yaplot](https://github.com/vitroid/Yaplot).
## Test in place
% make test % yaplot iceR.diffr.yap
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