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OpenDAS
OpenFold
Commits
8d8584ac
Commit
8d8584ac
authored
Dec 15, 2023
by
Dingquan Yu
Browse files
get rid of parsing tar.gz2 files for now
parent
c5a69771
Changes
1
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1 changed file
with
2 additions
and
10 deletions
+2
-10
openfold/data/data_pipeline.py
openfold/data/data_pipeline.py
+2
-10
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openfold/data/data_pipeline.py
View file @
8d8584ac
...
@@ -1160,18 +1160,10 @@ class DataPipelineMultimer:
...
@@ -1160,18 +1160,10 @@ class DataPipelineMultimer:
is_homomer_or_monomer
:
bool
is_homomer_or_monomer
:
bool
)
->
FeatureDict
:
)
->
FeatureDict
:
"""Runs the monomer pipeline on a single chain."""
"""Runs the monomer pipeline on a single chain."""
chain_fasta_str
=
f
'>
{
chain_id
}
\n
{
sequence
}
\n
'
chain_fasta_str
=
f
'>
{
chain_id
}
\n
{
sequence
}
\n
'
if
chain_alignment_index
is
not
None
and
os
.
path
.
exists
(
chain_alignment_dir
):
if
chain_alignment_index
is
None
and
not
os
.
path
.
exists
(
chain_alignment_dir
):
pass
raise
ValueError
(
f
"Alignments for
{
chain_id
}
not found..."
)
elif
chain_alignment_index
is
None
and
not
(
os
.
path
.
exists
(
chain_alignment_dir
)
or
os
.
path
.
exists
(
chain_alignment_dir
+
".tar.bz2"
)):
raise
ValueError
(
f
"Alignments for
{
chain_id
}
not found..."
)
elif
chain_alignment_index
is
not
None
or
os
.
path
.
exists
(
chain_alignment_dir
+
".tar.bz2"
):
tmpdir
=
tempfile
.
mkdtemp
()
cmd
=
f
"tar -xvf
{
chain_alignment_dir
+
'.tar.bz2'
}
-C
{
tmpdir
}
"
result
=
subprocess
.
run
(
cmd
,
capture_output
=
True
,
text
=
True
,
shell
=
True
)
chain_alignment_dir
=
os
.
path
.
join
(
tmpdir
,
os
.
listdir
(
tmpdir
)[
0
])
with
temp_fasta_file
(
chain_fasta_str
)
as
chain_fasta_path
:
with
temp_fasta_file
(
chain_fasta_str
)
as
chain_fasta_path
:
chain_features
=
self
.
_monomer_data_pipeline
.
process_fasta
(
chain_features
=
self
.
_monomer_data_pipeline
.
process_fasta
(
...
...
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