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tweak versions (#40)
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rvhonorato authored Jan 27, 2025
1 parent bb2d41a commit 0cffade
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2 changes: 1 addition & 1 deletion Cargo.lock

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12 changes: 6 additions & 6 deletions Cargo.toml
Original file line number Diff line number Diff line change
@@ -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"
Expand All @@ -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"
1 change: 1 addition & 0 deletions src/structure.rs
Original file line number Diff line number Diff line change
Expand Up @@ -577,6 +577,7 @@ pub fn get_atoms_from_resnumbers(pdb: &PDB, selection: &[isize]) -> Vec<Atom> {
/// - 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<PDB, Vec<PDBError>> {
let processed_buf = process_pdb(input_pdb);

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