MakroLyzer - User Manual

Welcome to the user manual of the MakroLyzer program! MakroLyzer is a graph based python tool for analyzing and modifying macromolecular structures of natural or synthetic origin, such as peptides or nanoplastics. The program has two main functionalities:

• Structure analysis of macromolecular structures

• Structure modification of macromolecular structures

First Steps

• Installation
• Install MakroLyzer
• Call help page

General Information

• General Input Parameters
• Backbone determination
• Atom Parameters

Structure Analyzers

• Dihedral Angles and Cis/Trans
• Radius of Gyration
• Anisotropy Factor
• Asphericity Parameter
• Hydrogen Bonds
• Order Parameter S*
• End-to-End Distance
• Ramachandran Matrix
• Connected Substructures
• Chemical Formulas
• Surface Atoms
• Convex Hull Volume and Density

Structure Modifiers

• Pattern IDs
• Polyethylene Functionalization
• Polyethylene Surface Functionalization
• Saturation
• Subgraph Coordinates