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

get structures with dummy atoms for the fragments #88

Open

2 tasks

kjappelbaum opened this issue Jul 21, 2022 · 0 comments

Open

2 tasks

get structures with dummy atoms for the fragments #88

kjappelbaum opened this issue Jul 21, 2022 · 0 comments

Labels

Owner

kjappelbaum commented Jul 21, 2022

allow writing of SMILES with dummy atoms
create PORMAKE input with dummy atoms

kjappelbaum added the blocking label

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