From 0cffade840b32529a95aa51917cb208e8fe6370d Mon Sep 17 00:00:00 2001 From: Rodrigo Vargas Honorato Date: Mon, 27 Jan 2025 09:46:49 +0100 Subject: [PATCH] tweak versions (#40) --- Cargo.lock | 2 +- Cargo.toml | 12 ++++++------ src/structure.rs | 1 + 3 files changed, 8 insertions(+), 7 deletions(-) diff --git a/Cargo.lock b/Cargo.lock index 0697fe1..64e93cc 100644 --- a/Cargo.lock +++ b/Cargo.lock @@ -261,7 +261,7 @@ dependencies = [ [[package]] name = "haddock-restraints" -version = "0.7.0" +version = "0.7.1" dependencies = [ "clap", "itertools", diff --git a/Cargo.toml b/Cargo.toml index 5df1f41..a27ea6f 100644 --- a/Cargo.toml +++ b/Cargo.toml @@ -1,6 +1,6 @@ [package] name = "haddock-restraints" -version = "0.7.0" +version = "0.7.1" edition = "2021" description = "Generate restraints to be used in HADDOCK" license = "MIT" @@ -20,11 +20,11 @@ categories = ["science::bioinformatics", "science"] rust-sasa = "0.2" serde = { version = "1.0", features = ["derive"] } serde_json = "1.0" -pdbtbx = "0.12.0" -rand = "0.8.4" +pdbtbx = "0.12" +rand = "0.8" kd-tree = "0.6.0" clap = { version = "4.5", features = ["derive"] } -nalgebra = "0.33.0" -itertools = "0.14.0" -pdb-handler = ">=0.1.2" +nalgebra = "0.33" +itertools = "0.14" +pdb-handler = ">=0.1" tempfile = "3.12" diff --git a/src/structure.rs b/src/structure.rs index dde46c6..71f6e4b 100644 --- a/src/structure.rs +++ b/src/structure.rs @@ -577,6 +577,7 @@ pub fn get_atoms_from_resnumbers(pdb: &PDB, selection: &[isize]) -> Vec { /// - The PDB is parsed with `pdbtbx::StrictnessLevel::Loose` to allow for some flexibility in the input format. /// - Any warnings generated during parsing are discarded. If you need to handle warnings, /// consider modifying the function to return them along with the PDB structure. +#[allow(deprecated)] pub fn load_pdb(input_pdb: &str) -> Result> { let processed_buf = process_pdb(input_pdb);