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Feature request: color pore profile by radius #7

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yummy-hat opened this issue Jun 24, 2024 · 2 comments
Open

Feature request: color pore profile by radius #7

yummy-hat opened this issue Jun 24, 2024 · 2 comments
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enhancement New feature or request

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@yummy-hat
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It could be useful to color by the width of the pore profile that Hole generates. Here is an example of coloring by the number of waters that would fit at a given point along the path (see create_vmd_surface): red if no waters could fit, green if one fits, and blue if two or more could fit.

@joshua-mae joshua-mae added the enhancement New feature or request label Jun 24, 2024
@joshua-mae joshua-mae self-assigned this Jun 24, 2024
@yummy-hat
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yummy-hat commented Jun 25, 2024

Actually, I think this can be done fairly trivially with atomselections. Something like "radius < 2.8 and radius >= 1.4' to select the one-water size.

@joshua-mae
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Could I get a screenshot of what this is supposed to look like in VMD with something loaded in?

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