bio3d (version 2.3-0)

read.crd.amber: Read AMBER Coordinate files

Description

Read coordinate data from an AMBER coordinate / restart file.

Usage

"read.crd"(file, ...)

Arguments

file

name of crd file to read.

...

arguments passed to and from functions.

Value

A list object of type ‘amber’ and ‘crd’ with the following components:

Details

Read a AMBER Coordinate format file.

References

Grant, B.J. et al. (2006) Bioinformatics 22, 2695--2696. http://ambermd.org/formats.html

See Also

read.prmtop, read.ncdf, as.pdb, atom.select, read.pdb, read.crd.charmm

Examples

## Not run: 
# ## Read Amber PRMTOP and CRD files
# prm <- read.prmtop(system.file("examples/crambin.prmtop", package="bio3d"))
# crd <- read.crd(system.file("examples/crambin.inpcrd", package="bio3d"))
# 
# ## Convert to PDB format
# pdb <- as.pdb(prm, crd)
# 
# ## Atom selection
# ca.inds <- atom.select(prm, "calpha")
# ## End(Not run)