homelette

homelette provides a unified Python interface to assemble modular homology modelling pipelines for generating and evaluating three-dimensional protein structure models from related experimental structures.

Key Features:

• Unified Programmatic Access: Provides a single programmatic interface to diverse homology modelling software, enabling access to multiple tools for model generation and evaluation.
• Modular Pipeline Assembly: Enables construction of custom pipelines by assembling pre-existing or self-implemented building blocks to tailor workflows for specific modelling and evaluation tasks.
• Python Compatibility: Implemented in Python and compatible with Python 3.6 and newer.

Scientific Applications:

• Structural biology and bioinformatics: Supports generation and evaluation of protein models used in structural biology and bioinformatics analyses.
• Protein structure prediction: Enables prediction of protein structures when experimental data are unavailable or incomplete.
• Functional and interaction analysis: Facilitates inference of protein function, interactions, and dynamics from homology-based models.
• Drug discovery and enzyme design: Provides homology-based structural models to support drug discovery and enzyme design efforts.
• Study of complex biological systems: Supplies structural models for analyses of complex biological systems.

Methodology:

Integrates existing homology modelling tools via a cohesive programmatic interface and enables users to construct custom pipelines from modular building blocks.