Alexander Rose comments

Results 331 comments of


                                            Alexander Rose

difference in behavior for volumes between 4.10 and 4.11

It looks like a DirectVolume Representation is somehow added. I tried loading ccp4 files into molstar.org/viewer but could not reproduce it.

如何使不同pdbid的配体颜色不同

Google translate: "How to make different pdbid's ligand colors different". You could try the structure-index color theme. But depending on what you want you need to do it manually in...

How should I use molQL expressions to select residues with multiple conformations?

![image](https://github.com/molstar/molstar/assets/272250/2f36c562-b983-4f93-aba5-255748f1a119) where Expression is ``` (sel.atom.atom-groups :residue-test (and (= atom.resname UM6) (= atom.resno 401)) :atom-test (or (= atom.altloc A) (= atom.altloc ``)) ) ```

Loading local pdb files to shiny molstar

I have no knowledge of shiny molstar. Best to contact the developer of it.

Display interactions across structures?

Please see if #1463 solves it for you.

Vol gradient

Thanks @corredD this looks nice, will review later. Regarding "pymol algo". Did you copy any code? Because PyMOL is GPL last I checked and we do not want GPL code...

Vol gradient

Are clip objects not enough? Maybe with a mode like for spheres? What is the use case for the filtering?

Vol gradient

I will need some more time to look at the Loci

Postprocessing not applied to fully opaque fuzzy points representation

I guess that is because they are always regarded as transparent internally - probably just needs a check when looping over render objects. Could you have a look?

Help for extracting the computed interactions

We don't have an API for extracting the interactions. You will need to go pretty deep into the code. A starting point is src\mol-model-props\computed\interactions.ts.