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Support inferBonds
parameter in PDB files
#1092
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yeah, PRs are always very welcome
Please continue my work here (the build passed on my macbook but failing. I guess I am using newer lab version (or so on)
no, it is just I am too lazy to check and no one ever asked.
Agree.
No you're not. I think we don't use it. But I am open for suggestion. The API can be
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But please use 2 PRs
thanks |
@Yoshanuikabundi updated in nglview 3.1.0 |
Oh awesome, thanks @hainm! It's going to be a while before I can get to contributing to this - hopefully I'll be able to get to it in March. |
Upstream NGL has recently added support for configuring which bonds are inferred from interatomic distances in PDB files: nglviewer/ngl#977. This was released on Node in 2.2.0
At OpenFF, we'd love to be able to take advantage of this option in our visualization methods. Would you accept a PR to add this functionality?
I think it would involve:
Structure
subclassesStructure.params
attribute would be for this, but it doesn't seem to get used anywhere. Or am I missing something?Widget._remote_call
to load the PDB by hand if necessary, but I would think first-class support for this configuration object would be widely useful.Thanks!
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