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

Add ability to display names under compounds with RDKit #79

Open
wants to merge 1 commit into
base: main
Choose a base branch
from

Conversation

mimvoid
Copy link

@mimvoid mimvoid commented Dec 15, 2024

Use RDKit.js's ability to detect a compound's _Name property and display it in the legend. Closes #75.

I looked through smilesDrawer's source code and unfortunately could not find any equivalent. As far as I can tell, it's only possible with RDKit.

Syntax:

C1([Cl])=CC=CC(C(=O)O[OH])=C1 mCPBA

Result:

2024-12-14_18-32-46

@Acylation Acylation added the category/new feature The feature will be added label Dec 15, 2024
@Acylation
Copy link
Owner

Thanks for figuring this out! I'm struggling with my upcoming finals and will possibly reviewing these next weekend.

@mimvoid
Copy link
Author

mimvoid commented Dec 15, 2024

Thanks for figuring this out! I'm struggling with my upcoming finals and will possibly reviewing these next weekend.

It's also finals week for me haha. Good luck!

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
category/new feature The feature will be added
Projects
None yet
Development

Successfully merging this pull request may close these issues.

Assign a number or name under the structure
2 participants