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

Bondtwist analysis plugin for GenIce.
https://github.com/vitroid/genice-bondtwist

Last synced: over 1 year ago
JSON representation

Bondtwist analysis plugin for GenIce.

• Host: GitHub
• URL: https://github.com/vitroid/genice-bondtwist
• Owner: vitroid
• Created: 2018-06-07T14:54:02.000Z (about 8 years ago)
• Default Branch: master
• Last Pushed: 2019-07-24T16:38:39.000Z (almost 7 years ago)
• Last Synced: 2024-03-15T12:25:40.273Z (over 2 years ago)
• Language: Python
• Size: 29.3 KB
• Stars: 0
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

Awesome Lists containing this project

README

          
# genice-svg

A [GenIce](https://github.com/vitroid/GenIce) plugin to analyze bond twists.

## Requirements

* [GenIce](https://github.com/vitroid/GenIce) >=0.23.

## Installation from PyPI

    % pip install genice-bondtwist

## Manual Installation

### System-wide installation

    % make install

### Private installation

Copy the files in genice_bondtwist/formats/ into your local formats folder of GenIce.

## Usage

	% genice T2 -f bondtwist > T2.btwc

## Test in place

    % make test