return_xyz: "Gets xyz for specified atoms"
In BradyAJohnston/mdfret: Processing and Plotting of MD Data

return_xyz

R Documentation

"Gets xyz for specified atoms"

Usage

return_xyz(some_pdb, some_residue, some_frame)

Arguments

`some_pdb`
`some_residue`
`some_frame`

Examples

##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.

## The function is currently defined as
function (some_pdb, some_residue, some_frame)
{
    selec.xyz <- atom.select.pdb(some_pdb, string = "calpha",
        resno = some_residue)$xyz
    some_pdb$xyz[some_frame, selec.xyz]
  }

BradyAJohnston/mdfret documentation built on April 16, 2022, 8:32 a.m.