vertex to atoms

[yuqinan]

Hi! How can I know which atom/residue an vertex is connected to?

[JarrettSJohnson]

Hi! How can I know which atom/residue an vertex is connected to?

I might need some more specifics regarding this question. How are you obtaining this vertex data?

[yuqinan]

Thanks! I am trying to implement the same features of modifying a specific residue on a molecule but visualize it with unreal engine. It was kind of difficult to figure out how the atoms positions and the vertexes are related.

[yuqinan]

As a follow up, I am wondering if all the object are initiated as non pickable and then becomes pickable later if part of it is commanded to change?

[JarrettSJohnson]

Perhaps I don't follow or we may be discussing two completely different things, but pickable molecules by default are pickable. The picking texture (which stores the picking colors) may not have been generated yet if the user hasn't requested picking (via mouse event).

[yuqinan]

Oh it makes more sense now! Is it possible to directly set up the picking texture without using the mouse event? For example, what is the best way to initiate a molecule with the first residue colored yellow? I tried directly editing the AtomInfo color of a ObjectMolecule and then render. But it doesn't seem to work.

[JarrettSJohnson]

Apologies for the late response, been away a bit for the past week and will be next week as well; just been looking sporadically and I must've missed this.

I haven't tried changing the data inside AtomInfo directly to see if that makes a change; perhaps it may be overridden by another color being used (maybe object-level) or something.

After re-reading the conversation, I may have just been a bit confused. CGOGL.cpp doesn't really hold any information about the atoms/bonds that make them up (except for the picking information I mentioned before); however, if you're looking for the converse way (where the vertex of a CGO is created from the atom/residues, you'd find these in the respective layer2/Rep* functions where CoordSet*s are being read in and atom-level positions and colors are read to generate the 3D form of the molecule.

If you need more details regarding this, feel free to reach out via email: jarrett.johnson@schrodinger.com