Superposes moving molecule mol_m on templace molecule mol_t

superpose_mol(mol_m, mol_t)

Arguments

mol_m

mol_t

Details

Value

References

Note

See also

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) }
#> 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) #> } #> <environment: 0x10ffcc6a8>