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molstar / VSCoding-Sequence

VSCode Extension for interactively visualising protein structure data in the editor
MIT License
101 stars 9 forks source link

Adding/Removing/Selecting Atoms from XYZ File #9

Closed jamesETsmith closed 2 years ago

jamesETsmith commented 2 years ago

Hi @a-r-j, thanks for this VSCode extension! I've found that I can't select a single atom when I load an xyz file. Is there a way to do this in the VSCoding-Sequence? Similarly, can you add and delete single atoms or display their coordinates?

Thanks!

a-r-j commented 2 years ago

Hey @jamesETsmith glad you like it :) Could you share an example file I can take a look at?

jamesETsmith commented 2 years ago

Sure thing! Here it is: h2o_25.xyz.txt

a-r-j commented 2 years ago

If you click the Selection Mode icon in the toggle menu you can select individual atoms (cursor icon) if you change the selection mode to Atom/coarse (a bar will appear at the top of the canvas, the default is Residue)

Wrt deleting and showing coordinates, I'm not exactly sure - you can ask over at the main Mol* repo. One possible solution is defining a new component with a selection and just visualising that.

Pinging @arose for his thoughts :)

arose commented 2 years ago

Mol* doesn't support editing but you can hide atoms from display. There is no way to display an atoms coordinates at the moment.

jamesETsmith commented 2 years ago

Thanks for the help @a-r-j and @arose!