superpose_mol {conmolfields}R Documentation

Superposes moving molecule mol_m on templace molecule mol_t

Description

Superposes moving molecule mol_m on templace molecule mol_t

Usage

superpose_mol(mol_m, mol_t)

Arguments

mol_m
mol_t

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 (mol_m, mol_t) 
{
    xyz_m <- mol2xyz(mol_m)
    xyz_t <- mol2xyz(mol_t)
    align <- align_arun(xyz_m, xyz_t)
    xyz_a <- transform_xyz(xyz_m, align$R, align$T)
    xyz2mol(mol_m, xyz_a)
  }

[Package conmolfields version 0.0-19 Index]