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mutation_alascan_ddg
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vish_joachimiak_lab
fibril_mutation_scanning
mutation_alascan_ddg
Commits
937ccbea
Commit
937ccbea
authored
2 years ago
by
Vishruth Mullapudi
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fixed issue with migration to threadpool executor
parent
c06f4f45
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1 merge request
!2
Pregen resfiles
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mutation_scan_ddg/ddg_mutation_scan.py
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mutation_scan_ddg/ddg_mutation_scan.py
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mutation_scan_ddg/ddg_mutation_scan.py
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937ccbea
...
...
@@ -215,7 +215,7 @@ Configure the chains, mutant residue, and Rosetta options in the specified confi
executor
=
concurrent
.
futures
.
ThreadPoolExecutor
(
max_workers
=
min
(
max_cpus
,
os
.
cpu_count
())
)
results
=
{
executor
.
submit
(
run_flex_ddg
,
args
=
args
):
args
for
args
in
flex_ddg_cases
}
results
=
{
executor
.
submit
(
run_flex_ddg
,
*
args
):
args
for
args
in
flex_ddg_cases
}
executor
.
shutdown
(
wait
=
True
)
# This will raise any of the exceptions thrown by the processes in pool so that we can see them
for
future
in
concurrent
.
futures
.
as_completed
(
results
):
...
...
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