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Commit 7f2e66cb authored by Studer Gabriel's avatar Studer Gabriel
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avg_local score for QMEANBrane was calculated with QMEAN

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......@@ -457,13 +457,26 @@ class ModelScorer:
membrane_idx = res.score_table.GetColIndex("membrane")
score_idx = res.score_table.GetColIndex("QMEAN")
summed_local_score = 0.0
n_scores = 0
for r in res.score_table.rows:
chain_name = r[chain_name_idx]
rnum = r[rnum_idx]
score = r[score_idx]
formatted_score = format_float(score)
local_scores[chain_name][rnum - 1] = formatted_score
if formatted_score:
summed_local_score += formatted_score
n_scores += 1
mem = r[membrane_idx]
local_scores[chain_name][rnum - 1] = format_float(score)
qmeanbrane_membrane[chain_name][rnum - 1] = mem
# The avg_local_score in global scores has been estimated with
# classical QMEAN. Let's overwrite
avg_local_score = summed_local_score
if n_scores > 0:
avg_local_score /= n_scores
global_scores["avg_local_score"] = format_float(avg_local_score)
else:
raise RuntimeError(f"Unknown scoring function {scoring_function}")
......
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