[MMTK] transformation of one molecule in an other one?
Fuchsan at students.uni-marburg.de
Thu Jan 22 14:17:53 UTC 2009
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!
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