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OpenDAS
OpenFold
Commits
cfb4c19c
Commit
cfb4c19c
authored
Apr 23, 2024
by
jnwei
Committed by
Jennifer
May 02, 2024
Browse files
run_pretrained_openfold.py: Change default paths of binary to be conda environment bin
parent
f4e54ec7
Changes
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11 additions
and
7 deletions
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-7
README.md
README.md
+1
-1
scripts/utils.py
scripts/utils.py
+10
-6
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README.md
View file @
cfb4c19c
...
...
@@ -188,7 +188,7 @@ python3 run_pretrained_openfold.py \
where
`data`
is the same directory as in the previous step. If
`jackhmmer`
,
`hhblits`
,
`hhsearch`
and
`kalign`
are available at the default path of
`/usr/bin`
, their
`binary_path`
command-line arguments can be dropped.
your conda environment's
`bin`
directory
, their
`binary_path`
command-line arguments can be dropped.
If you've already computed alignments for the query, you have the option to
skip the expensive alignment computation here with
`--use_precomputed_alignments`
.
...
...
scripts/utils.py
View file @
cfb4c19c
import
argparse
import
ctypes
from
datetime
import
date
import
os
import
sys
from
pathlib
import
Path
CONDA_ENV_BINARY_PATH
=
Path
(
os
.
environ
[
'CONDA_PREFIX'
])
/
'bin'
def
add_data_args
(
parser
:
argparse
.
ArgumentParser
):
parser
.
add_argument
(
'--uniref90_database_path'
,
type
=
str
,
default
=
None
,
...
...
@@ -30,22 +34,22 @@ def add_data_args(parser: argparse.ArgumentParser):
'--bfd_database_path'
,
type
=
str
,
default
=
None
,
)
parser
.
add_argument
(
'--jackhmmer_binary_path'
,
type
=
str
,
default
=
'/usr/bin/
jackhmmer'
'--jackhmmer_binary_path'
,
type
=
Path
,
default
=
CONDA_ENV_BINARY_PATH
/
'
jackhmmer'
,
)
parser
.
add_argument
(
'--hhblits_binary_path'
,
type
=
str
,
default
=
'/usr/bin/
hhblits'
'--hhblits_binary_path'
,
type
=
Path
,
default
=
CONDA_ENV_BINARY_PATH
/
'
hhblits'
,
)
parser
.
add_argument
(
'--hhsearch_binary_path'
,
type
=
str
,
default
=
'/usr/bin/
hhsearch'
'--hhsearch_binary_path'
,
type
=
str
,
default
=
CONDA_ENV_BINARY_PATH
/
'
hhsearch'
,
)
parser
.
add_argument
(
'--hmmsearch_binary_path'
,
type
=
str
,
default
=
'/usr/bin/
hmmsearch'
'--hmmsearch_binary_path'
,
type
=
str
,
default
=
CONDA_ENV_BINARY_PATH
/
'
hmmsearch'
,
)
parser
.
add_argument
(
'--hmmbuild_binary_path'
,
type
=
str
,
default
=
'/usr/bin/
hmmbuild'
'--hmmbuild_binary_path'
,
type
=
str
,
default
=
CONDA_ENV_BINARY_PATH
/
'
hmmbuild'
,
)
parser
.
add_argument
(
'--kalign_binary_path'
,
type
=
str
,
default
=
'/usr/bin/
kalign'
'--kalign_binary_path'
,
type
=
str
,
default
=
CONDA_ENV_BINARY_PATH
/
'
kalign'
,
)
parser
.
add_argument
(
'--max_template_date'
,
type
=
str
,
...
...
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