Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

New rdkit smiles notation for metal-centre stereochemistry could be useful for building block preparation #533

Open
andrewtarzia opened this issue Oct 1, 2024 · 2 comments
Labels
enhancement New feature or request

Comments

@andrewtarzia
Copy link
Collaborator

The discussion here https://www.rdkit.org/docs/RDKit_Book.html#support-for-non-tetrahedral-atomic-stereochemistry is what I mean in the title. It is possible that we could allow this in the documentation to build building blocks.

@andrewtarzia andrewtarzia added the enhancement New feature or request label Oct 1, 2024
@lukasturcani
Copy link
Owner

wont this work by default? rdkit handles all smiles stuff for us. is there anything we need to do on our end?

@andrewtarzia
Copy link
Collaborator Author

Yes, I believe so - it was more to just provide a clear example of this and perhaps alter the Dative bond examples because it might be easier now. I need to look into it.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request
Projects
None yet
Development

No branches or pull requests

2 participants