Metadata-Version: 2.4
Name: FANDAS
Version: 2.3.0
Summary: Fast Analysis of multidimensional NMR DAta Sets
Author: Siddarth Narasimhan
Maintainer-email: "Rodrigo V. Honorato" <bonvinlab.support@uu.nl>
License-Expression: Apache-2.0
License-File: LICENSE
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: Apache Software License
Classifier: Natural Language :: English
Classifier: Operating System :: MacOS
Classifier: Operating System :: POSIX
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: <3.14,>3.9
Requires-Dist: numpy>=2.2.3
Requires-Dist: pandas>=2.2.2
Requires-Dist: toml>=0.10
Provides-Extra: dev
Requires-Dist: coverage; extra == 'dev'
Requires-Dist: hypothesis; extra == 'dev'
Requires-Dist: pytest; extra == 'dev'
Requires-Dist: pytest-cov; extra == 'dev'
Description-Content-Type: text/markdown

# FANDAS

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![fandas-logo](https://raw.githubusercontent.com/haddocking/fandas/refs/heads/main/imgs/logo.png)

## ATTENTION

The publication of [FANDAS](https://doi.org/10.1007/978-1-4939-7386-6_6) refers to
its **original release** available at <https://github.com/siddarthnarasimhan/FANDAS_2.0>.

The present code contains changes made to the original code base and might
not reflect the description given in its original publication.

## Web Service

This tool is also available as a web-service! Check it out at [wenmr.science.uu.nl/fandas](https://wenmr.science.uu.nl/fandas)

## Introduction

**F**ast **AN**lysis of multidimensional NMR **DA**ta **S**ets (**FANDAS**)
is an analysis tool built on Python to predict peaks in multidimensional
NMR experiments on proteins.

**FANDAS** accepts a variety of inputs, with the protein sequence being the only
minimum required input. The output generated by FANDAS can be opened using the
NMR visualization software SPARKY.

## Installation

```text
pip install fandas
fandas -h
```

See the [Example directory](https://github.com/haddocking/fandas/tree/main/example)
for an usage example.

## Citation

- Narasimhan, S., Mance, D., Pinto, C., Weingarth, M., Bonvin, A. M. J. J.
  & Baldus, M. [Rapid Prediction of Multi-dimensional NMR Data Sets Using FANDAS](https://doi.org/10.1007/978-1-4939-7386-6_6).
  Methods in Molecular Biology 111–132 (2017). doi:10.1007/978-1-4939-7386-6_6
