Add support for visualizing electron density maps

[andreasprlic]

Hi Marco,

Would be great if PV could show electron density maps (as some kind of mesh?). Having such a visualization would make it much more clear how well e.g. ligands fit the experimental data.

Thanks,

Andreas

[biasmv]

Hi Andreas,

I've added support for rendering of volume data in a separate branch a while ago. It's not much more than an implementation of the marching cube algorithm that operates on a scalar 3d volume. It doesn't support non-rectangular coordinate systems, nor does it support anything related to symmetry. I'd assume that these features would need to be added to be useful to you?

There are a few other things on my todo list that I'd like to tackle first, so I'm not sure when I have time to work on it.

Best, Marco

[andreasprlic]

sure, no rush with this. I will prob have some data for this later this year and can ping you again then. Btw. just upgraded to latest pv and looks great!

[tmgriffiths]

Hi Marco,

Just another voice for volumetric data. I'm not using electron density maps though. I've got PMF maps I'd like to display, DX volumetric data format. Currently they're all rectangular coordinate systems and nothing symmetry based, so the current implementation you metion above would work for me.

This is good stuff! Keep on it!

Thanks,

Tom.

[tmgriffiths]

Hi Marco,

Any progress on the implimentation of the volume data? I'm thinking about developing some interactive figures for a paper/thesis that would contain some protein stuctures and some volumetric data. I'm using the openDX format, but that can change. I don't require any symmetry elements and all the data is retangular, no tricky coordinate systems.

I see you said you had implemented a version of the marching cube algorithim in an earlier, seperate branch. I'd be willing to give it a test if you'd like.

Tom.

[biasmv]

Hi Tom,

I'll have to check on my old laptop, I don't remember in what state the branch is. I'll let you know as soon as possible if I think the branch is in any shape to be taken out for a test-drive.

Best, Marco

[tmgriffiths]

Awesome, thanks! I've been playing around with the viewpointChanged event and syncronised viewers to allow comparison of structures. It's looking real nice!

Tom.