Rpdb

Read, Write, Visualize and Manipulate PDB Files

Add Axes or PBC Box to the ‘rgl’ Scene

Add Labels to the ‘rgl’ Scene

Create ‘atoms’ Object

The Basis of an Object

Atomic Bond Lengths, Angles and Dihedrals

Properties of a Unit Cell

Centres-of-Geometry and Centres-of-Mass

Create ‘conect’ Object

The Atomic Coordinates of an Object

Create ‘cryst1’ Object

Inter-Atomic Distances

Periodic Table of the Elements

Moment of Inertia of a Molecular System

Mass of Chemical Elements

Merging Molecular Systems

Reflexion of Atomic Coordinates

Helper Functions for reflection of Atomic Coordinates

Number of Atoms in an Object Containing Atomic Coordinates

Create an Object of Class ‘pdb’

Range of Atomic Coordinates

PDB File Reader

Reinitialize Object Indexing

Replicate Atomic Coordinates

Rotation of Atomic Coordinates

Helper Functions for Rotation of Atomic Coordinates

Divide and Reassemble ‘pdb’ Objects

Subsetting ‘atoms’ and ‘pdb’ Objects

Atomic Symbols Converter

Translation of Atomic Coordinates

Helper Functions for Translation of Atomic Coordinates

Universal Constants

Reassemble Groups

Basic Vectorial Operations

Set the View of the ‘rgl’ Scene

Visualize a Molecular Structure

Wrap Atomic Coordinates

PDB File Writer

From Cartesian to Fractional Coordinates and Vis Versa