From ffe7268098cbd8668c990788ab26b148c1c8ce83 Mon Sep 17 00:00:00 2001 From: anton083 Date: Tue, 7 May 2024 14:03:29 +0200 Subject: [PATCH] Filter out disordered atoms --- src/protein/pdb.jl | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/protein/pdb.jl b/src/protein/pdb.jl index 56cd3ff..8ff74f0 100644 --- a/src/protein/pdb.jl +++ b/src/protein/pdb.jl @@ -30,7 +30,7 @@ aminoacid_sequence(chain::BioStructures.Chain, res_selector) = aminoacid_sequenc function get_residue_atoms_dict(residues::Vector{<:BioStructures.AbstractResidue}) atoms = Dict{Int, Vector{Atom}}() for res in residues - append!(get!(atoms, res.number, Atom[]), Atom.(BioStructures.collectatoms(res, BioStructures.standardselector))) + append!(get!(atoms, res.number, Atom[]), Atom.(BioStructures.collectatoms(res, a -> BioStructures.standardselector(a) && !BioStructures.disorderselector(a)))) end return atoms end