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OpenDAS
OpenFold
Commits
01ef215e
Commit
01ef215e
authored
Sep 20, 2023
by
Geoffrey Yu
Browse files
fixed inference script
parent
d909c707
Changes
1
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3 additions
and
4 deletions
+3
-4
run_pretrained_openfold.py
run_pretrained_openfold.py
+3
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run_pretrained_openfold.py
View file @
01ef215e
...
...
@@ -70,13 +70,11 @@ def precompute_alignments(tags, seqs, alignment_dir, args, is_multimer):
with
open
(
tmp_fasta_path
,
"w"
)
as
fp
:
fp
.
write
(
f
">
{
tag
}
\n
{
seq
}
"
)
if
is_multimer
:
local_alignment_dir
=
alignment_dir
else
:
local_alignment_dir
=
os
.
path
.
join
(
alignment_dir
,
os
.
path
.
join
(
alignment_dir
,
tag
),
)
if
(
args
.
use_precomputed_alignments
is
None
and
not
os
.
path
.
isdir
(
local_alignment_dir
)):
logger
.
info
(
f
"Generating alignments for
{
tag
}
..."
)
...
...
@@ -90,6 +88,7 @@ def precompute_alignments(tags, seqs, alignment_dir, args, is_multimer):
bfd_database_path
=
args
.
bfd_database_path
,
uniref30_database_path
=
args
.
uniref30_database_path
,
uniclust30_database_path
=
args
.
uniclust30_database_path
,
uniprot_database_path
=
args
.
uniprot_database_path
,
no_cpus
=
args
.
cpus
,
)
alignment_runner
.
run
(
...
...
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