Merge pull request #116 from jchodera/ghmc-fix

Fix py3 issues
choderalab · Aug 31, 2016 · f96b203 · f96b203
2 parents 6c8e11f + ae50cbc
commit f96b203
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 4 deletions.
diff --git a/openmmtools/data/cb7-viologen/molecules/create-viologen.py b/openmmtools/data/cb7-viologen/molecules/create-viologen.py
@@ -64,7 +64,7 @@ def assign_am1bcc_charges(mol):
 OESmilesToMol(mol, smiles)
 
 # Generate conformation.
-print "Generating conformation..."
+print("Generating conformation...")
 omega = OEOmega()
 omega.SetMaxConfs(1)
 omega(mol)
@@ -79,12 +79,12 @@ def assign_am1bcc_charges(mol):
 mol.SetTitle('protonated viologen')
 
 # Assign charges.
-print "Assigning canonical AM1-BCC charges..."
+print("Assigning canonical AM1-BCC charges...")
 charged_mol = assign_am1bcc_charges(mol)
 
 # Write conformation.
 ofs = oechem.oemolostream()
 ofs.open(output_filename)
 oechem.OEWriteMolecule(ofs, charged_mol)
 
-print "Done."
+print("Done.")
diff --git a/setup.py b/setup.py
@@ -14,7 +14,7 @@
 DOCLINES = __doc__.split("\n")
 
 ########################
-VERSION = "0.8.0"
+VERSION = "0.8.2"
 ISRELEASED = False
 __version__ = VERSION
 ########################