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[Question] Description of the matchin aa column in the output #7

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celalp opened this issue Nov 15, 2024 · 1 comment
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[Question] Description of the matchin aa column in the output #7

celalp opened this issue Nov 15, 2024 · 1 comment
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@celalp
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celalp commented Nov 15, 2024

Hi,

This is a neat tool. I just have a question about the last column of the output (comma separated aa list), the column says matching amino acids but what is is this match based on? Sequence, 3Di?

Thanks

@khb7840
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khb7840 commented Nov 18, 2024

Thank you for your interest in Folddisco!

By default, Folddisco uses a set of pairwise structural features different from 3Di. These features include:

  • Distances between C-alpha and C-beta atoms
  • The angle between the C-alpha–C-beta vectors
  • Two side-chain torsion angles

Residue matching is performed by identifying connected components in a graph derived from these features.

I'm currently working on updating the documentation soon to provide more details.

@khb7840 khb7840 added the question Further information is requested label Nov 18, 2024
@celalp celalp closed this as completed Jan 3, 2025
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