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Add support for TMAlign and RMSD #13

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DrLeucine opened this issue May 26, 2022 · 0 comments
Open

Add support for TMAlign and RMSD #13

DrLeucine opened this issue May 26, 2022 · 0 comments

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@DrLeucine
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Hi,

It'd be awesome if we could align two ampal objects and calculate both the TMAlign score and the RMSD.

I think the easiest way would be to include these packages:

These could be added to the analyse_protein.py file: https://github.com/isambard-uob/ampal/blob/d972dd395a52de68eaa7928447773aaf0a518206/src/ampal/analyse_protein.py
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@DrLeucine