pub fn gen_tbl(input_file: &str, pml: &Option<String>)
Expand description
Generates a table of Ambiguous Interaction Restraints (AIRs) based on input data.
This function reads interactor data from a JSON file, processes the interactors according to specified flags, and generates a table of AIRs.
§Arguments
input_file
- A string slice that holds the path to the input JSON file.
§Functionality
- Reads interactor data from the specified JSON file.
- For each interactor with a non-empty structure:
a. If
passive_from_active
is set, derives passive residues from active ones. b. Ifsurface_as_passive
is set, treats surface residues as passive. c. Iffilter_buried
is set, removes buried residues from consideration. - Creates an
Air
instance from the processed interactors. - Generates a table of AIRs.
- Prints the generated table to stdout.