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

Add chain selection for analysis #55

Open
MarvinTaterra opened this issue Oct 24, 2024 · 1 comment
Open

Add chain selection for analysis #55

MarvinTaterra opened this issue Oct 24, 2024 · 1 comment
Assignees
@MarvinTaterra @NDoering99
Labels
enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed

Comments

@MarvinTaterra
Copy link
Collaborator

Problems with multi chain systems. requires a specific selection in order to process complex systems like peptide like ligands or gproteins
@NDoering99 NDoering99 added enhancement New feature or request help wanted Extra attention is needed good first issue Good for newcomers labels Dec 18, 2024
@NDoering99
Copy link
Collaborator

NDoering99 commented Dec 23, 2024 •
edited
Loading

I have added preliminary chain selection to mdpath_dev in
commit ab1b740
The selection still needs to be tested and validated that the mdpath workflow still runs smoothly after using the chain selection.

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

@MarvinTaterra MarvinTaterra

@NDoering99 NDoering99

Labels
enhancement New feature or request good first issue Good for newcomers help wanted Extra attention is needed
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@MarvinTaterra @NDoering99