From 8bb56022bd7b70d7a1d2e5983fbf419b2e39d05b Mon Sep 17 00:00:00 2001 From: Abdullah Kahraman Date: Thu, 15 Feb 2024 16:24:24 +0100 Subject: [PATCH] Fixed calls to old Rosetta functions in Energy Graphs --- DAN-msa/pyErrorPred/featurize.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/DAN-msa/pyErrorPred/featurize.py b/DAN-msa/pyErrorPred/featurize.py index 5ab1042..9de27e5 100644 --- a/DAN-msa/pyErrorPred/featurize.py +++ b/DAN-msa/pyErrorPred/featurize.py @@ -77,7 +77,7 @@ def extract_EnergyDistM(pose, energy_terms): # Parse the energy graph. while iru!=irue: # Dereference the pointer and get the other end. - edge = iru.__mul__() + edge = iru.dereference() # Evaluate energy edge and get energy values evals = [edge[e] for e in energy_terms] @@ -98,7 +98,7 @@ def extract_EnergyDistM(pose, energy_terms): count += 1 # Move pointer - iru.plus_plus() + iru.pre_increment() ######################################### # Simple transformation of energy terms #