Allow mutation scores to be associated with multiple chains

[Willow.Coyote-Maestas@…]

Willow wants to be able to associate a set of mutation scores with multiple chains. Ever also wanted this for coloring the ABCg2 homodimer.

Begin forwarded message:

From: "Coyote-Maestas, Willow"
Subject: Small suggestion for DMS chimera
Date: February 1, 2025 at 1:22:06 PM PST
To: Tom Goddard <goddard@…>
Cc: "O'Donnell, Ever"

Hey Tom,

Overall I think all the chimera tools have been super useful for us. (We should think about how we want to communicate or present them at some point as I think they will be of broad interest in the field).

That said, as I have been using it alot in the past couple days and it would be really nice to have a more streamlined way to plot the same scores across multiple structures.. Currently I am trying to compare a bunch a dms dataset with >10 distinct scores across a transporter that have ~10 structures solved. Currently it seems that it plots scores on the first structure that is opened but it would be really nice to have comparisons across states without needing to calculate and then the scores individually on each.

Thanks
Willow

[Tom Goddard]

Done.

The "mutationscores structure" command now takes one or more chains as an argument. Before it only allowed specifying one chain.

Also when chains are automatically associated with a mutation set such as when clicking on a scatter plot it will associate all chains where there are no residue type mismatches.

To see what chains are associated you can use the "mutationscores structure" command with no argument.

The open command for opening .csv files or fetching alphafold missense scores or uniprot variant scores used to take an optional "chain" argument for specifying a single chain to associate. Now those open commands take a "chains" argument allowing multiple chains to be associated.

When multiple chains are associated actions from the scatter plot menu such as coloring structure residues or showing structure residue atoms or finding nearby structure residues all operate on all associated chains. Also defining new scores with "mutationscores define" will assign attributes to the residues of all associated chains.