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

Andreas Fuchs Fuchsan at students.uni-marburg.de
Thu Jan 22 14:17:53 UTC 2009


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




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