Rpdb: Read, write, visualize and manipulate PDB files

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

AuthorJulien Idé
Date of publication2014-04-26 14:57:10
MaintainerJulien Idé <julien.ide.fr@gmail.com>
LicenseGPL
Version2.2

View on CRAN

Man pages

addAxes: Add Axes or PBC Box to the 'rgl' Scene

addLabels: Add Labels to the 'rgl' Scene

atoms: Create 'atoms' Object

basis: The Basis of an Object

bond-angle-dihedral: Atomic Bond Lengths, Angles and Dihedrals

cellProperties: Properties of a Unit Cell

centres: Centres-of-Geometry and Centres-of-Mass

conect: Create 'conect' Object

coords: The Atomic Coordinates of an Object

cryst1: Create 'cryst1' Object

distances: Inter-Atomic Distances

elements: Periodic Table of the Elements

inertia: Moment of Inertia of a Molecular System

masses: Mass of Chemical Elements

merge.coords: Merging Molecular Systems

mirror: Reflexion of Atomic Coordinates

mirrorHelpers: Helper Functions for reflection of Atomic Coordinates

natom: Number of Atoms in an Object Containing Atomic Coordinates

pdb: Create an Object of Class 'pdb'

range.coords: Range of Atomic Coordinates

read.pdb: PDB File Reader

reindex: Reinitialize Object Indexing

replicate: Replicate Atomic Coordinates

rotation: Rotation of Atomic Coordinates

rotationHelpers: Helper Functions for Rotation of Atomic Coordinates

Rpdb-package: Read, Write, Visualize and Manipulate PDB Files

split.pdb: Divide and Reassemble 'pdb' Objects

subset.pdb: Subsetting 'atoms' and 'pdb' Objects

toSymbols: Atomic Symbols Converter

translation: Translation of Atomic Coordinates

translationHelpers: Helper Functions for Translation of Atomic Coordinates

universalConstants: universal Constants

unsplit: Reassemble Groups

vectorialOperations: Basic Vectorial Operations

viewAxis: Set the View of the 'rgl' Scene

visualize: Visualize a Molecular Structure

wrap: Wrap Atomic Coordinates

write.pdb: PDB File Writer

xyz2abc: From Cartesian to Fractional Coordinates and Vis Versa

Files in this package

Rpdb
Rpdb/inst
Rpdb/inst/examples
Rpdb/inst/examples/Pentacene.pdb
Rpdb/inst/examples/C70.pdb
Rpdb/inst/examples/PCBM_ODCB.pdb
Rpdb/NAMESPACE
Rpdb/data
Rpdb/data/elements.rda
Rpdb/data/universalConstants.rda
Rpdb/R
Rpdb/R/addAxes.R Rpdb/R/atoms.R Rpdb/R/replicate.R Rpdb/R/reindex.R Rpdb/R/addLabels.R Rpdb/R/write.pdb.R Rpdb/R/split.pdb.R Rpdb/R/xyz2abc.R Rpdb/R/read.pdb.R Rpdb/R/natom.R Rpdb/R/subset.atoms.R Rpdb/R/mirrorHelpers.R Rpdb/R/centres.R Rpdb/R/toSymbols.R Rpdb/R/coords.R Rpdb/R/wrap.R Rpdb/R/merge.coords.R Rpdb/R/masses.R Rpdb/R/cellProperties.R Rpdb/R/distances.R Rpdb/R/conect.R Rpdb/R/mirror.R Rpdb/R/translation.R Rpdb/R/measure.R Rpdb/R/translationHelpers.R Rpdb/R/cryst1.R Rpdb/R/bond-angle-dihedral.R Rpdb/R/vectorialOperations.R Rpdb/R/viewAxis.R Rpdb/R/visualize.R Rpdb/R/range.coords.R Rpdb/R/rotation.R Rpdb/R/unsplit.R Rpdb/R/pdb.R Rpdb/R/inertia.R Rpdb/R/basis.R Rpdb/R/rotationHelpers.R
Rpdb/MD5
Rpdb/DESCRIPTION
Rpdb/man
Rpdb/man/addAxes.Rd Rpdb/man/distances.Rd Rpdb/man/basis.Rd Rpdb/man/toSymbols.Rd Rpdb/man/centres.Rd Rpdb/man/translationHelpers.Rd Rpdb/man/cellProperties.Rd Rpdb/man/reindex.Rd Rpdb/man/Rpdb-package.Rd Rpdb/man/mirrorHelpers.Rd Rpdb/man/universalConstants.Rd Rpdb/man/replicate.Rd Rpdb/man/conect.Rd Rpdb/man/bond-angle-dihedral.Rd Rpdb/man/write.pdb.Rd Rpdb/man/range.coords.Rd Rpdb/man/read.pdb.Rd Rpdb/man/coords.Rd Rpdb/man/vectorialOperations.Rd Rpdb/man/mirror.Rd Rpdb/man/viewAxis.Rd Rpdb/man/cryst1.Rd Rpdb/man/split.pdb.Rd Rpdb/man/pdb.Rd Rpdb/man/elements.Rd Rpdb/man/subset.pdb.Rd Rpdb/man/merge.coords.Rd Rpdb/man/wrap.Rd Rpdb/man/visualize.Rd Rpdb/man/translation.Rd Rpdb/man/rotationHelpers.Rd Rpdb/man/addLabels.Rd Rpdb/man/unsplit.Rd Rpdb/man/natom.Rd Rpdb/man/inertia.Rd Rpdb/man/masses.Rd Rpdb/man/rotation.Rd Rpdb/man/atoms.Rd Rpdb/man/xyz2abc.Rd

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