Metadata-Version: 2.1
Name: rpmol
Version: 0.1
Summary: Paquete para la conversión y manipulación de datos estructurales.
Home-page: https://github.com/usuario/rpmol
Author: Rubén Prieto-Díaz
Author-email: ruben.prietodiaz@icm.uu.se
License: MIT
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: MacOS
Description-Content-Type: text/markdown
License-File: LICENSE

# rpmol

Python package for the conversion and manipulation of chemical data.

## Installation

You can install the package using pip:

```bash
pip install rpmol

### Usage

```bash

rpmol file.xlsx -> transforms an Excel file - containing molecule identifiers (code, name) in the first column and SMILES codes in the second column - into an sdf file.

rpmol file.sdf -> transforms an sdf file - containing molecule identifiers (code, name) and SMILES codes - into an xlsx file.

