Don't collect empty chains

MurrellGroup · Aug 13, 2024 · b290aa5 · b290aa5 · AntonOresten · Aug 13, 2024
1 parent 50d1425
commit b290aa5
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Showing 2 changed files with 6 additions and 3 deletions.
diff --git a/Project.toml b/Project.toml
@@ -1,7 +1,7 @@
 name = "Backboner"
 uuid = "9ac9c2a2-1cfe-46d3-b3fd-6fa470ea56a7"
 authors = ["Anton Oresten <anton.oresten42@gmail.com>"]
-version = "0.11.3"
+version = "0.11.4"
 
 [deps]
 BioStructures = "de9282ab-8554-53be-b2d6-f6c222edabfc"

diff --git a/src/protein/BioStructures-interface.jl b/src/protein/BioStructures-interface.jl
@@ -59,14 +59,17 @@ end
 
 function Protein.Chain(chain::BioStructures.Chain, selector=backbone_residue_selector)
     residues = BioStructures.collectresidues(chain, selector)
-    isempty(residues) && return Protein.Chain(BioStructures.chainid(chain), Backbone(Matrix{Float64}(undef, 3, 0)); modelnum=BioStructures.modelnumber(chain))
+    isempty(residues) && return Protein.Chain(Backbone(Matrix{Float64}(undef, 3, 0)); id=BioStructures.chainid(chain), modelnum=BioStructures.modelnumber(chain))
     return Protein.Chain(residues)
 end
 
 function collectchains(struc::BioStructures.MolecularStructure, selector=backbone_residue_selector)
     chains = Protein.Chain[]
     for model in struc, chain in model
-        isempty(chain) || push!(chains, Protein.Chain(chain, selector))
+        if !isempty(chain)
+            protein_chain = Protein.Chain(chain, selector)
+            !isempty(protein_chain) && push!(chains, protein_chain)
+        end
     end
     return chains
 end