Alexander Rose
banner
asrose.bsky.social
Alexander Rose
@asrose.bsky.social
Scientific software engineer & computational structural biologist, #molstar web molecular graphics developer.
Congrats to the 2025 #NobelPrize laureates in chemistry.

Here are some #molstar renderings of an AgFe mixed metal Metal Organic Framework to celebrate.
October 8, 2025 at 5:06 PM
#molstar now supports immersive AR/VR - enjoy

molstar.org/xr/
October 6, 2025 at 1:06 AM
Isosurface of X-ray density only lit by emissive slice of same density. Illuminated in #molstar.
January 18, 2025 at 6:57 AM
Try Mol* illumination mode: molstar.org/viewer/?illu...

Example: molstar.org/viewer/?snap...
November 17, 2024 at 9:49 PM
A few notes on integrating SSGI into Mol*.
November 17, 2024 at 9:47 PM
For tracing in screen-space we need to recover thickness.
Want it automatic, not fiddle with parameters.

Insight: Molecules are shown with visuals of very different density.

So we do 2 things
1) Base thickness from front- and back-face depth
2) Density factor to adjust for each type of visual
November 17, 2024 at 9:47 PM
Inputs are rendered by the same shader code as the standard rendering. There are just two extra output targets: normal + emissive strength and diffuse + density. Additionally we do a pass to get back face depth.
November 17, 2024 at 9:47 PM
Main idea is to treat the SSGI as a progressive enhancement of sorts. Try to reuse as many of the passes used for normal rendering. And keep the overall look as similar as possible.
November 17, 2024 at 9:47 PM
High quality lighting from "path-traced" screen-space global illumination. Even works with only emissive lights.
November 17, 2024 at 9:47 PM
Gave a short presentation on Illuminating Molecules in #molstar at the November 2024 #WebGL & #WebGPU Meetup

www.khronos.org/events/webgl...
November 17, 2024 at 9:47 PM
Ionic lock in inactive rhodopsin - illuminated in #molstar
October 26, 2024 at 12:22 AM