https://github.com/vitroid/genice-diffr

A GenIce plugin to visualize the structure factor.
https://github.com/vitroid/genice-diffr

Last synced: 3 months ago
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A GenIce plugin to visualize the structure factor.

• Host: GitHub
• URL: https://github.com/vitroid/genice-diffr
• Owner: vitroid
• Created: 2018-04-04T06:20:37.000Z (about 8 years ago)
• Default Branch: master
• Last Pushed: 2018-12-06T23:01:26.000Z (over 7 years ago)
• Last Synced: 2025-02-22T09:17:00.453Z (over 1 year ago)
• Language: Prolog
• Size: 226 KB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# 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