Metadata-Version: 2.1
Name: mtclabpy
Version: 0.6.5
Summary: A comprehensive tool for molecular and enzyme calculations
Home-page: 
Author: Menglei Xia
Author-email: xiamenglei321@163.com
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
Requires-Dist: numpy
Requires-Dist: pandas
Requires-Dist: scipy
Requires-Dist: biopython
Requires-Dist: requests

# MTCLabPy

A comprehensive Python package for molecular biology and enzyme calculations.

## Features

- Solubility Analysis
- Molecular Pockets Analysis
- Mutations Analysis
- Affinity Calculations
- Kcat Prediction
- Enzyme Self Calculation
- Molecular Docking
- Developmental Tree Analysis

## Installation

```bash
pip install mtclabpy
```

## Usage

```python
# Example for kcat prediction
from mtclabpy.kcat_prediction import dlkat

# Example for solubility prediction
from mtclabpy.solubility import nessolp

# Predict solubility
result_url = nessolp(
    fasta_file_path="sequence.fasta",
    email="your_email@example.com",
    username="your_username",
    password="your_password"
)

# More examples in documentation
```

## Requirements

- Python >= 3.6
- NumPy
- Pandas
- SciPy
- BioPython
- Requests

## License

MIT License
