Calculate radial distribution functions for repeat units

Author: Stephen Todd

Description

Two scripts to calculate the radial distribution functions for repeat units in a polymer. A centroid is used to define the position of each repeat unit in a polymer.

RDF Single - calculates the radial distribution function for all centroids in the structure. Output is a standard RDF chart and study table

RDF Pairs - calculates the radial dsitribution function for each set of chemically unique repeat units in the polymer. Output is multiple RDF charts and study tables.

This minimum requirement for this script is Materials Studio 4.2.

Modules: Materials Visualizer, Forcite Trajectory Analysis

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