Metadata-Version: 2.4
Name: SHAnC
Version: 0.0.1
Summary: SHAnC (Silica Helices Analysis & Construction) is a collection of scripts used to Construct and Analyze Silica Helices.
Author-email: Rémi Grincourt <remi.grincourt@ens-lyon.fr>, Maewenn Temey <maewenn.temey@ens-lyon.fr>
License: MIT License
        
        Copyright (c) 2026 re-gr
        
        Permission is hereby granted, free of charge, to any person obtaining a copy
        of this software and associated documentation files (the "Software"), to deal
        in the Software without restriction, including without limitation the rights
        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
        copies of the Software, and to permit persons to whom the Software is
        furnished to do so, subject to the following conditions:
        
        The above copyright notice and this permission notice shall be included in all
        copies or substantial portions of the Software.
        
        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
        SOFTWARE.
        
Project-URL: Repository, https://github.com/re-gr/shanc
Keywords: nanohelices,chemistry,materials,helices,construction
Classifier: Development Status :: 4 - Beta
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: pyvista
Requires-Dist: matplotlib
Dynamic: license-file

<h1 align="center">
SHAnC
</h1>

SHAnC (Silica Helices Analysis & Construction) is a collection of scripts used to Construct and Analyze Silica Helices.

- **Github :** https://github.com/re-gr/SHAnC

## Getting Started

- Construction : the scripts that are used to create an helix or a twisted ribbon
    - distorsion.py : create helices and ribbons
    - read\_write.py : read and write files
    - script\_analysis.py : analysis (rdf, saturation ...) of structures
    - script\_cycles.py : cycle analysis of structures (WIP)

- Torsion : the scripts are used to twist the cuboids to the proper shape. This method should not be used, but is kept here just in case.
    - distorsion.py : old version of the script in construction that should be compatible with the other script
    - script\_launch.py : script to create the systems and input file for the simulations


## Depedencies

	numpy
	scipy
   	matplotlib
	pyvista
	lammps (optional, for torsion only)

## Contact

Email : [Rg](mailto:remi.grincourt@ens-lyon.fr)
        [mate-pr](mailto:maewenn.temey@ens-lyon.fr)

