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add unambig_ti stub
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rvhonorato committed Nov 15, 2024
1 parent d035a01 commit 9262965
Showing 1 changed file with 13 additions and 1 deletion.
14 changes: 13 additions & 1 deletion src/main.rs
Original file line number Diff line number Diff line change
Expand Up @@ -33,6 +33,13 @@ enum Commands {
#[arg(help = "Cutoff distance for interface residues")]
cutoff: f64,
},
#[command(about = "placeholder")]
UnambigTi {
#[arg(help = "PDB file")]
input: String,
#[arg(help = "Cutoff distance for interface residues")]
cutoff: f64,
},
#[command(about = "Generate Unambiguous restraints to keep molecules together during docking")]
Restraint {
#[arg(help = "PDB file")]
Expand All @@ -45,7 +52,6 @@ enum Commands {
#[arg(help = "Cutoff distance for interface residues")]
cutoff: f64,
},

#[command(about = "Generate Z-restraints for a protein")]
Z {
#[arg(required = true, help = "Input file")]
Expand Down Expand Up @@ -89,6 +95,9 @@ fn main() -> Result<(), Box<dyn std::error::Error>> {
Commands::Ti { input, cutoff } => {
let _ = true_interface(input, cutoff);
}
Commands::UnambigTi { input, cutoff } => {
let _ = unambig_ti(input, cutoff);
}
Commands::Restraint { input } => {
let _ = restraint_bodies(input);
}
Expand Down Expand Up @@ -172,6 +181,9 @@ fn gen_tbl(input_file: &str) {
println!("{}", tbl);
}

fn unambig_ti(input_file: &str, cutoff: &f64) -> Result<String, Box<dyn Error>> {
Ok("placeholder".to_string())
}
/// Analyzes the true interface of a protein structure and generates Ambiguous Interaction Restraints (AIRs).
///
/// This function reads a PDB file, identifies the true interface between chains based on a distance cutoff,
Expand Down

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