[MMTK] transformation of one molecule in an other one?

[Andreas Fuchs]

Dear all,

I have an amorphous structure containing n molecules of the same  
geometry. All molecules are arbitrarily translated and rotated. Now  
I'd like to know the tranformations I have to apply to transform  
molecule i into molecule j.
I was thinking about trying the MMTK function findTransformation().
Unfortunately, I cannot find the correct syntax and am net even sure  
if I am on the right way. Has anyone had a similar problem and could  
give me some hints?

Thanks for your help!

Andreas