diff --git a/ample/util/benchmark_util.py b/ample/util/benchmark_util.py index cc7354f1..9d871a87 100644 --- a/ample/util/benchmark_util.py +++ b/ample/util/benchmark_util.py @@ -443,6 +443,7 @@ def analyseSolution(amoptd, d, origin_finder='shelxe'): # Move pdb onto new origin originPdb = ample_util.filename_append(mrPdb, astr='offset',directory=fixpath(amoptd['benchmark_dir'])) + #print(mrPdb, originPdb, mrOrigin) pdb_edit.translate(mrPdb, originPdb, mrOrigin) # offset.pdb is the mrModel shifted onto the new origin use csymmatch to wrap onto native