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.

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

use rdkit2ase where appropiate #259

Open
PythonFZ opened this issue Jan 11, 2024 · 0 comments
Open

use rdkit2ase where appropiate #259

PythonFZ opened this issue Jan 11, 2024 · 0 comments

Comments

@PythonFZ
Copy link
Member

https://github.com/zincware/rdkit2ase is a bit more tested and has a few more features compared to what we currently have.
It is also used to generate new structures in ZnDraw.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@PythonFZ