From bfe332c75c1a4b136f1435519614eb0854201d95 Mon Sep 17 00:00:00 2001
From: Joe Greener <jgreener@hotmail.co.uk>
Date: Fri, 21 Jun 2024 13:34:35 +0100
Subject: [PATCH] BioStructures.jl compat

---
 Project.toml          | 2 +-
 src/IsoMu/datalink.jl | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/Project.toml b/Project.toml
index b77acd2..5f87797 100644
--- a/Project.toml
+++ b/Project.toml
@@ -46,7 +46,7 @@ Molly = "aa0f7f06-fcc0-5ec4-a7f3-a573f33f9c4c"
 MollyExt = "Molly"
 
 [compat]
-BioStructures = "3.0.0"
+BioStructures = "4.0.0"
 CUDA = "5.2.0"
 ChainRulesCore = "1.23.0"
 Chemfiles = "0.10.41"
diff --git a/src/IsoMu/datalink.jl b/src/IsoMu/datalink.jl
index 3d2821a..f1b5df3 100644
--- a/src/IsoMu/datalink.jl
+++ b/src/IsoMu/datalink.jl
@@ -85,7 +85,7 @@ end
 
 c_alpha_inds(d::DataLink) = c_alpha_inds(pdbfile(d))
 function c_alpha_inds(pdbfile="data/struct.pdb")
-  pdb = BioStructures.read(pdbfile, BioStructures.PDB)
+  pdb = BioStructures.read(pdbfile, BioStructures.PDBFormat)
   #df = BioStructures.DataFrame(BioStructures.collectatoms(pdb))
   df = DataFrame(BioStructures.collectatoms(pdb))
   ids = filter(x -> x["atomname"] == "CA", df)[!, :serial]