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

need to recognize ligands/fragments #4

Open
JenkeScheen opened this issue Nov 7, 2023 · 0 comments
Open

need to recognize ligands/fragments #4

JenkeScheen opened this issue Nov 7, 2023 · 0 comments

Comments

@JenkeScheen
Copy link
Contributor

folks will be uploading PDB files with different entries for ligands/fragments, beside LIG and UNK we may want to have a box where the user can indicate the ligand entry for the PDB. OpenEye's Orion has this option as well for some floes.

@hmacdope notes that OE has some internal mechanics to recognize these as well, may need to leverage those.
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
@JenkeScheen