Skip to content

Regions Feature#188

Merged
mestia merged 3 commits into
pharmai:developmentfrom
snbolz:feature/domains
Oct 16, 2025
Merged

Regions Feature#188
mestia merged 3 commits into
pharmai:developmentfrom
snbolz:feature/domains

Conversation

@snbolz

@snbolz snbolz commented Oct 15, 2025

Copy link
Copy Markdown

Implements a new feature "--regions" by which interactions can be detected between defined protein regions.

Protein regions can be specified as ligand/receptor groups by chain and residue numbers, e.g., ({A: 1-20, 25, 26, 28}, {A: 54-63, B: 17-46}) to define residues 1-20, 25, 26, and 28 of chain A as ligand and residues 54-63 of chain A and residues 17-46 of chain B as receptor. Defining a receptor is optional. Multiple ligand-receptor pairs can be parsed as a list of tuples [({A: 1-20}, {B: 17-46}), ({C: 5-43}, {D: 7})].

@mestia mestia merged commit 9132b5c into pharmai:development Oct 16, 2025
1 check passed
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 this pull request may close these issues.

2 participants