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schwede
QMEAN
Commits
7f2e66cb
Commit
7f2e66cb
authored
3 years ago
by
Studer Gabriel
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avg_local score for QMEANBrane was calculated with QMEAN
parent
b86031ba
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docker/run_qmean.py
+14
-1
14 additions, 1 deletion
docker/run_qmean.py
with
14 additions
and
1 deletion
docker/run_qmean.py
+
14
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1
View file @
7f2e66cb
...
...
@@ -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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