Description Usage Arguments Examples
Superposes moving molecule mol_m on templace molecule mol_t
1 | superpose_mol(mol_m, mol_t)
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mol_m |
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mol_t |
1 2 3 4 5 6 7 8 9 10 11 12 13 | ##---- 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)
}
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