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.

Sign up for GitHub

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

Jump to bottom

make the hydrophobic space atom centered value per atom and not per heavy atom #16

Open

UnixJunkie opened this issue Aug 5, 2016 · 2 comments

Labels

Owner

UnixJunkie commented Aug 5, 2016

this is for open babel

Owner Author

UnixJunkie commented Aug 5, 2016

we lost some resolution by using a value per heavy-atom

Owner Author

UnixJunkie commented Jun 1, 2018

rdkit can do this and I exploited it in autoco

UnixJunkie added the enhancement label

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment