Paquete para la conversión y manipulación de datos estructurales.
Project description
rpmol
Python package for the conversion and manipulation of chemical data.
Installation
You can install the package using pip:
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.
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