A comprehensive tool for molecular and enzyme calculations
Project description
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
pip install mtclabpy
Usage
# 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
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