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

Canonical carbohydrates? #6

Open
benbowen opened this issue Dec 20, 2016 · 0 comments
Open

Canonical carbohydrates? #6

benbowen opened this issue Dec 20, 2016 · 0 comments

Comments

@benbowen
Copy link

Have you made plans for reconciling forms of sugars? For example, glucose can exist in an open and closed form. I recently integrated a large number of chemical databases (before knowing about MolVS) and am going through the well-documented woes you describe in this package.

Here is an example for glucose: https://en.wikipedia.org/wiki/Glucose#Open-chain_form

I'm excited to switch my fragmented code for cleaning structures over to your MolVS protocols. The canonical tautomer is something really significant for me. Thanks for putting this together.

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

No branches or pull requests

1 participant