Opened 7 hours ago

Last modified 5 hours ago

#19403 assigned enhancement

Add structure coloring controls to mutation scores scatter plot

Reported by: Tom Goddard Owned by: Tom Goddard
Priority: moderate Milestone:
Component: Structure Analysis Version:
Keywords: Cc: Willow.Coyote-Maestas@…
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

Willow suggested adding controls to the mutation scores scatter plot to color associated structures. These would allow doing simple coloring of residues using attributes computed from mutations scores without needing to use the Render by Attribute GUI.

Attachments (1)

scatter_color.png (956.1 KB ) - added by Tom Goddard 6 hours ago.
Screen snapshot showing some new coloring controls on scatter plots.

Download all attachments as: .zip

Change History (4)

comment:1 by Tom Goddard, 6 hours ago

I implemented color controls on scatter plots as shown in the attached image.

by Tom Goddard, 6 hours ago

Attachment: scatter_color.png added

Screen snapshot showing some new coloring controls on scatter plots.

comment:2 by Tom Goddard, 6 hours ago

Willow suggested the following refinements to the current coloring controls:

Mapping the sum ended up with negative scores and was confusing for the coloring. Get rid of the sum and just keep the sum absolute value.

Currently, if you drag a box in the scatterplot, the color mappings go away. It’s set up where the box dragging colors the structure green. Probably make it so it just selects doesn’t change color.

Default setting to select ‘color missing values: white’ (this adjusts the default from grey). This will reduce the problem of ending up with leftover colors from previous scores.

Adjust color scale to have more steps and not to max out. I think doing this based on percentiles would be helpful:
Pasted Graphic 1.png

Add new default color scales
Red-white-blue. This would have white be a band centered at zero. Then red and blue have multiple steps. Here is an example of roughly what i think would be ideal.
Pasted Graphic 4.png

Adjust naming scheme current with the drag box these become quite long and confusing:
Pasted Graphic 2.png

We probably need some sort of attribute manager that allows removing these or rapidly switching between them.

comment:3 by Tom Goddard, 5 hours ago

Cc: Willow.Coyote-Maestas@… added

Made several improvements to the structure coloring:

1) Replaced two color white-red and white-blue with three color palettes still using linear ramp.

2) Added red-white-blue color palette for handling signed residue values such as mean or median across full set of mutations. This uses 4 levels with the two middle ones being white using (0.66*min, 0.33*min, 0.33*max, 0.66*max). Not a great choice for thresholds.

3) Added different ways to combine mutation scores for a residue: median, count, max, min.

4) Use while color if residue does not have a score.

5) Make ctrl-drag on scatter plot select residues by default and not color them green.

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