transform_mol: transform_mol

In conmolfields: Continuous molecular fields

Description

transform_mol

Usage

transform_mol(mol, R, T)

Arguments

mol
R
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, R, T) 
{
    xyz <- mol2xyz(mol)
    xyz1 <- transform_xyz(xyz, R, T)
    xyz2mol(mol, xyz1)
  }

conmolfields documentation built on May 2, 2019, 4:18 p.m.