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Add support for Atom Indices Import #50
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If somebody can come up with a parser (one probably exists in a function in MDAnalysis or similar somewhere) that can parse the |
Hi Brady! I've never contributed before, so I don't know how to do it necessarily. I did however find this other project that seems to accomplish what you need. https://gist.github.com/jbarnoud/09a22ac41fbd5969af51458eb89317e7 If you'd like, you can give me a little more specific guidance and I can try to add this, or else it looks like it has all the info you might need to do it yourself. |
oooh thanks for pointing this out! I hadn't looked into it deeply yet, but it seems like this should be straightforward to implement. Happy to support a PR, if you'd like to have a go at implementing it. I'd like to prioritise encouraging community contributions over doing everything myself. |
In terms of contributing, I've got some minor details in the README about how to do it in terms of building your own Molecular Nodes. You'll want VSCode and a couple of specific addons for Blender addon development. The function that does the MDAnalysis importing is here: MolecularNodes/MolecularNodes/md.py Lines 65 to 246 in 7979e38
For this to be used, I imagine adding an extra argument to the function maybe MolecularNodes/MolecularNodes/md.py Lines 206 to 218 in 7979e38
The function is called in this operator: MolecularNodes/MolecularNodes/ui.py Line 78 in 7979e38
so it will need to be updated, along with adding a new If it's a bit much, then I'm happy to go about it as well. The code base I think still requires a bit of a refactor, and blender addons can be a bit overwhelming if you haven't worked with them before as well. |
I'll give it a go as well. This isn't top priority for me at the moment, but I really like this project, and it's getting me to learn some more git and Blender, which I'm super happy about! |
If you have questions about approach to take, please let me know! As a brief outline, you'll want to:
|
Brady thanks for the generous guide! I should have some time next week to start poking at this. |
Add support for importing atom indices import from MD / topology files from programs such as MDAnalysis and mdtraj.
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