Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

FresnelGSD viewer default colors #60

Open
CalCraven opened this issue Sep 27, 2023 · 1 comment
Open

FresnelGSD viewer default colors #60

CalCraven opened this issue Sep 27, 2023 · 1 comment

Comments

@CalCraven
Copy link

Would be nice to have colors for the Fresnel GSD viewer. I put together a little video renderer pulled from code used in the HOOMD docs with another student in our lab (Kieran Nehils-Puleo), and think it would be useful to include default colors for particles if you knew their elements from something like a gmso topology. Here's a link to the dict in the file that sets those colors (and radii) https://github.com/mosdef-hub/CECAM-MoSDeF-Workshop/blob/73e87b53b6d01ae7784f8b18c396739e65776d8f/solvated_surface_workflow/hoomd_runners.py#L147C1-L147C1.

There's also a messy version of the render video code at the end of that file. Might be a nice feature to have.

@chrisjonesBSU
Copy link
Member

I think that would be a great idea @CalCraven. In one of our other packages we used for coarse-graining we have utils file we use to map atom types in a force field to the element here. Right now, we only have one for amber/gaff, but we can make one for oplsa too. Since hoomd snapshots don't store information about elements, I think this would be the easiest route to get element information; then we can have another dictionary that sets default colors per element.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants