Read Coordinate Data from Amber or Charmm
Read a CHARMM CARD (CRD) or AMBER coordinate file.
read.crd(file, ...)
file |
the name of the coordinate file to be read. |
... |
additional arguments passed to the methods
|
read.crd is a generic function calling the corresponding function
determined by the class of the input argument x. Use
methods("read.crd") to get all the methods for read.crd
generic:
read.crd.charmm will be used for file extension
‘.crd’.
read.crd.amber will be used for file extension
‘.rst’ or ‘.inpcrd’.
See examples for each corresponding function for more details.
See the ‘value’ section for the corresponding functions for more details.
Barry Grant and Lars Skjaerven
Grant, B.J. et al. (2006) Bioinformatics 22, 2695–2696.
## Not run:
## Read a PRMTOP file
prmtop <- read.prmtop(system.file("examples/crambin.prmtop", package="bio3d"))
print(prmtop)
## Read a Amber CRD file
crds <- read.crd(system.file("examples/crambin.inpcrd", package="bio3d"))
## Atom selection
ca.inds <- atom.select(prmtop, "calpha")
## Convert to PDB format
pdb <- as.pdb(prmtop, crds, inds=ca.inds)
## End(Not run)Please choose more modern alternatives, such as Google Chrome or Mozilla Firefox.