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schwede
barrOs
Commits
c9527e82
Commit
c9527e82
authored
1 year ago
by
Joana Pereira
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implemented the detection of OMBBs that form complexes with OMBBs
parent
728b3bec
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barrOs.py
+2
-2
2 additions, 2 deletions
barrOs.py
barrOs_library.py
+139
-113
139 additions, 113 deletions
barrOs_library.py
with
141 additions
and
115 deletions
barrOs.py
+
2
−
2
View file @
c9527e82
...
...
@@ -9,7 +9,7 @@ number_of_jobs = 1
barros
.
print_hello
()
# Get inputs
input_files
,
input_types
,
input_mode
,
outf
=
barros
.
get_inputs
(
sys
.
argv
)
input_files
,
input_types
,
input_mode
,
outf
,
complexes_only
,
multimer_only
=
barros
.
get_inputs
(
sys
.
argv
)
# Check if inputs are correct in case we are not dealing with a 'help' check
...
...
@@ -36,7 +36,7 @@ if __name__ == '__main__':
# Prepare all parallel jobs and run the main barrOs method for each pdbid
separated_jobs
=
barros
.
chunk_list
(
pdbIDs
,
number_of_jobs
)
list_arguments
=
[
i
for
i
in
zip
(
range
(
number_of_jobs
),
[
input_mode
for
job
in
separated_jobs
],
separated_jobs
)]
list_arguments
=
[
i
for
i
in
zip
(
range
(
number_of_jobs
),
[
input_mode
for
job
in
separated_jobs
],[
complexes_only
for
job
in
separated_jobs
],[
multimer_only
for
job
in
separated_jobs
],
separated_jobs
)]
pool
=
mp
.
Pool
(
number_of_jobs
)
data
=
pool
.
map
(
barros
.
run_barros
,
list_arguments
)
...
...
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barrOs_library.py
+
139
−
113
View file @
c9527e82
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