diff --git a/testsuite/MDAnalysisTests/datafiles.py b/testsuite/MDAnalysisTests/datafiles.py index ef0bea4036a..ae39309d7e2 100644 --- a/testsuite/MDAnalysisTests/datafiles.py +++ b/testsuite/MDAnalysisTests/datafiles.py @@ -254,6 +254,8 @@ "SURFACE_PDB", # 111 FCC lattice topology for NSGrid bug #2345 "SURFACE_TRR", # full precision coordinates for NSGrid bug #2345 "DSSP", # DSSP test suite + "GLYCAM", # PDB file with GLYCAM sugars + "SUGAR_PDB", # PDB file with PDB abbreviation sugars ] from importlib import resources @@ -671,5 +673,8 @@ # DSSP testing: from https://github.com/ShintaroMinami/PyDSSP DSSP = (_data_ref / 'dssp').as_posix() +GLYCAM = (_data_ref / 'GLYCAM_sugars.pdb').as_posix() +SUGAR_PDB = (_data_ref / '6kya.pdb').as_posix() + # This should be the last line: clean up namespace del resources