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diegozea / MIToS.jl

A Julia package to analyze protein sequences, structures, and evolutionary information
https://diegozea.github.io/MIToS.jl/stable/
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`superimpose` chosen residues #62

Closed timholy closed 2 years ago

timholy commented 2 years ago

If one wants to superimpose two different proteins with the Kabsch algorithm, it is necessary to pick particular pairings of residues to align. This adds an extra argument to superimpose that allows specification of the particular pairings. This only affects computation of the transformation; the entire structure gets transformed.

diegozea commented 2 years ago

Hi @timholy! Thank you very much for this PR :D It is a nice feature to have! Best,

timholy commented 2 years ago

Thanks for merging & making a new release!

diegozea commented 2 years ago

You're welcome :)