Xavier M
Xavier M
:D I am working on UnityMol (https://twitter.com/n3zix & https://twitter.com/unitymol). At the beggining I was looking for some open source code that I could use in that project to create cartoon...
This issue is not related to this asset. The plugin will give you a path, which is a string. The way you use that is up to you (http://answers.unity.com/answers/802424/view.html for...
Is there a part of the code we can change to enable this in an easier way than hack our way around it ?
Sorry for the delay. `rdBase.rdkitVersion` returns `'2023.03.3'`
The input molecule is in the first post. This is the stacktrace: > espaloma_charge -i "/mnt/d/PDBs/GPC_1RDS.mol2" > /home/me/micromamba/envs/mpy310/lib/python3.11/site-packages/dgl/heterograph.py:92: DGLWarning: Recommend creating graphs by `dgl.graph(data)` instead of `dgl.DGLGraph(data)`. > dgl_warning( >...
Should I install a rdkit package older than 2022 then ?
Thanks for your quick reply ! I would love to do that together, I don't know how to proceed though.
Sorry, I am a bit busy and but I will get back to that as soon as possible
Going back to this, sorry for the delay. I managed to compile rdkit on WSL Ubuntu, I still need to find time to add tests for the alignment.
Some software expects an exact property name, and the (1) suffix prevents them from recognizing it