diff --git a/projects/novelfams/translate2modelcif.py b/projects/novelfams/translate2modelcif.py index 219f50dca4bba11ba213cb81e88cbcc09cb26d3d..0d5ed81bf800c2fecf80b43ea49211d546458520 100644 --- a/projects/novelfams/translate2modelcif.py +++ b/projects/novelfams/translate2modelcif.py @@ -12,6 +12,7 @@ import shutil import sys import zipfile +import numpy as np import pandas as pd import ihm @@ -211,6 +212,9 @@ class _OST2ModelCIF(modelcif.model.AbInitioModel): def add_scores(self): """Add QA metrics from AF2 scores.""" + # global scores + self.qa_metrics.append(_GlobalPLDDT(np.mean(self.plddts))) + # local scores i = 0 for chn_i in self.ost_entity.chains: