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.

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

add unambig-ti subcommand #31

Closed
rvhonorato opened this issue Nov 15, 2024 · 0 comments · Fixed by #32
Closed

add unambig-ti subcommand #31

rvhonorato opened this issue Nov 15, 2024 · 0 comments · Fixed by #32
Assignees

Comments

@rvhonorato
Copy link
Member

rvhonorato commented Nov 15, 2024

This is a stricter variation of the ti subcommand - for each residue (chain_i) in the interface, it needs to find the closest residue (chain_n) and get the distances between it's CAs. example:

assign ( resid 10 and segid A and atom CA) ( resid 20 and segid B and atom CA ) 42.00 5.00 0.00

It should take as parameters the cutoff to define the interface and a lower/upper boundary for the restraints

@rvhonorato rvhonorato self-assigned this Nov 15, 2024
@rvhonorato rvhonorato linked a pull request Nov 15, 2024 that will close this issue
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging a pull request may close this issue.

1 participant