Add CCD dataset

padix-key · Mar 24, 2024 · 4b3f04c · 4b3f04c
1 parent e80a5c6
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diff --git a/setup.py b/setup.py
@@ -84,7 +84,7 @@ def get_extensions():
         # Codon tables
         "biotite.sequence"          : ["codon_tables.txt"],
         # Structure data (masses, bonds, etc.)
-        "biotite.structure.info"    : ["*.json", "*.msgpack"]
+        "biotite.structure.info"    : ["atom_masses.json", "ccd/*"]
     },
 )
 

diff --git a/src/biotite/structure/info/ccd/README.rst b/src/biotite/structure/info/ccd/README.rst
@@ -0,0 +1,3 @@
+These files are based on the
+`Chemical Component Dictionary <https://www.wwpdb.org/data/ccd>`_
+and were created using ``setup_ccd.py``.