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OpenDAS
OpenFold
Commits
0b5c9492
Commit
0b5c9492
authored
May 05, 2024
by
Lukas Jarosch
Browse files
Give script more descriptive name
parent
e2479cb5
Changes
1
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9 additions
and
5 deletions
+9
-5
scripts/expand_alignment_duplicates.py
scripts/expand_alignment_duplicates.py
+9
-5
No files found.
scripts/expand_
roda
_duplicates.py
→
scripts/expand_
alignment
_duplicates.py
View file @
0b5c9492
"""
"""
The RODA database is non-redundant, meaning that it only stores one explicit
The OpenProteinSet alignment database is non-redundant, meaning that it only
representative alignment directory for all PDB chains in a 100% sequence
stores one explicit representative alignment directory for all PDB chains in a
identity cluster. In order to add explicit alignments for all PDB chains, this
100% sequence identity cluster. In order to add explicit alignments for all PDB
script will add the missing chain directories and symlink them to their
chains, this script will add the missing chain directories and symlink them to
representative alignment directories.
their representative alignment directories. This is required in order to train
OpenFold on the full PDB, not just one representative chain per cluster.
"""
"""
from
argparse
import
ArgumentParser
from
argparse
import
ArgumentParser
...
@@ -52,6 +53,9 @@ def main(alignment_dir: Path, duplicate_chains_file: Path):
...
@@ -52,6 +53,9 @@ def main(alignment_dir: Path, duplicate_chains_file: Path):
with
open
(
duplicate_chains_file
,
"r"
)
as
fp
:
with
open
(
duplicate_chains_file
,
"r"
)
as
fp
:
duplicate_chains
=
[
list
(
line
.
strip
().
split
())
for
line
in
fp
]
duplicate_chains
=
[
list
(
line
.
strip
().
split
())
for
line
in
fp
]
# convert to absolute path for symlink creation
alignment_dir
=
alignment_dir
.
resolve
()
create_duplicate_dirs
(
duplicate_chains
,
alignment_dir
)
create_duplicate_dirs
(
duplicate_chains
,
alignment_dir
)
...
...
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