Merge branch 'jgreener64-patch-2'

axsk · Aug 12, 2024 · c81e7bb · c81e7bb
2 parents d4e49b4 + f85a7d8
commit c81e7bb
Show file tree

Hide file tree

Showing 2 changed files with 3 additions and 3 deletions.
diff --git a/Project.toml b/Project.toml
@@ -51,8 +51,8 @@ Molly = "aa0f7f06-fcc0-5ec4-a7f3-a573f33f9c4c"
 MollyExt = "Molly"
 
 [compat]
-BioStructures = "3.0.0"
-CUDA = "5"
+BioStructures = "4.0.0"
+CUDA = "5.2.0"
 ChainRulesCore = "1.23.0"
 Chemfiles = "0.10.41"
 Combinatorics = "1.0.2"

diff --git 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]