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Commit 45880b23 authored by Bienchen's avatar Bienchen
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Add global pLDDT as avg og b-factors

parent 8eff857b
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...@@ -12,6 +12,7 @@ import shutil ...@@ -12,6 +12,7 @@ import shutil
import sys import sys
import zipfile import zipfile
import numpy as np
import pandas as pd import pandas as pd
import ihm import ihm
...@@ -211,6 +212,9 @@ class _OST2ModelCIF(modelcif.model.AbInitioModel): ...@@ -211,6 +212,9 @@ class _OST2ModelCIF(modelcif.model.AbInitioModel):
def add_scores(self): def add_scores(self):
"""Add QA metrics from AF2 scores.""" """Add QA metrics from AF2 scores."""
# global scores
self.qa_metrics.append(_GlobalPLDDT(np.mean(self.plddts)))
# local scores # local scores
i = 0 i = 0
for chn_i in self.ost_entity.chains: for chn_i in self.ost_entity.chains:
......
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