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Adding possibility for a collection of structures

Open gezmi opened this issue 1 year ago • 1 comments

Describe the workflow you want to enable

I would like to be able to load structures from different sources, into a collection (stack) and make it easier to apply different functions (calculations, filtering) for all the structures at the same time.

Describe your proposed solution

I have implemented a stack solution here, will move it to be properly part of the package if approved. https://colab.research.google.com/drive/1a54jnLzzNUYoLBcwweHdbrjIqEKUJtVP#scrollTo=lOspp7m91ve4

gezmi avatar Apr 29 '24 17:04 gezmi

In the same notebook, I have also implemented superimposition, using TMalign

gezmi avatar Apr 29 '24 17:04 gezmi