StACKER documentation

StACKER manipulates the outputs of an MD simulation and analyzes the pi-stacking interactions. Creates a “Pi-Stacking Fingerprint” for a structure at each frame. Presents Pi-stacking interactions between two residues through analysis of their relevant movement.

Getting Started

Learn how to install StACKER and prepare Molecular Dynamics Data

To the installation instructions

Python Modules

See detailed instructions on StACKER’s functions and modules when using Python

To the Python user guide

Create System Stacking Fingerprints (SSFs)

Pipeline to create System Stacking Fingerprints (SSFs) using the Python Options

To the SSF creation guide

Create Pairwise Stacking Fingerprints (PSFs)

Pipeline to create Pairwise Stacking Fingerprints (PSFs) using the Python Options

To the PSF creation guide

Command Line Options

See a detailed pipeline to generate SSFs and PSFs using the Command Line Options

To the Command Line user guide

Contents:

• Getting Started
• API Documentation
• Create System Stacking Fingerprints (SSFs)
• Create Pairwise Stacking Fingerprints (PSFs)
• Command Line Options
• Molecular Dynamics