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Rpdb (version 2.1)

Read, write, visualize and manipulate PDB files

Description

Provides tools to read, write, visualize PDB files and perform some structural manipulations.

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Version

Install

install.packages('Rpdb')

Monthly Downloads

567

Version

2.1

License

GPL

Maintainer

Julien Idé

Last Published

March 26th, 2014

Functions in Rpdb (2.1)

read.pdb

PDB File Reader
mirror

Reflexion of Atomic Coordinates
range.coords

Range of Atomic Coordinates
translation

Translation of Atomic Coordinates
elements

Periodic Table of the Elements
vectorialOperations

Basic Vectorial Operations
coords

The Atomic Coordinates of an Object
unsplit

Reassemble Groups
split.pdb

Divide and Reassemble pdb Objects
xyz2abc

From Cartesian to Fractional Coordinates and Vis Versa
bond-angle-dihedral

Atomic Bond Lengths, Angles and Dihedrals
atoms

Create atoms Object
natom

Number of Atoms in an Object Containing Atomic Coordinates
pdb

Create an Object of Class pdb
cellProperties

Properties of a Unit Cell
centres

Centres-of-Geometry and Centres-of-Mass
masses

Mass of Chemical Elements
rotation

Rotation of Atomic Coordinates
rotationHelpers

Helper Functions for Rotation of Atomic Coordinates
addAxes

Add Axes or PBC Box to the rgl Scene
addLabels

Add Labels to the rgl Scene
subset.pdb

Subsetting atoms and pdb Objects
inertia

Moment of Inertia of a Molecular System
translationHelpers

Helper Functions for Translation of Atomic Coordinates
mirrorHelpers

Helper Functions for reflection of Atomic Coordinates
Rpdb-package

Read, Write, Visualize and Manipulate PDB Files
viewAxis

Set the View of the rgl Scene
write.pdb

PDB File Writer
toSymbols

Atomic Symbols Converter
merge.coords

Merging Molecular Systems
basis

The Basis of an Object
universalConstants

universal Constants
reindex

Reinitialize Object Indexing
visualize

Visualize a Molecular Structure
cryst1

Create cryst1 Object
conect

Create conect Object
wrap

Wrap Atomic Coordinates
replicate

Replicate Atomic Coordinates