Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in / Register
Toggle navigation
Menu
Open sidebar
OpenDAS
OpenFold
Commits
632acfaf
Commit
632acfaf
authored
Jun 21, 2022
by
Gustaf Ahdritz
Browse files
Disable zero centering
parent
5aa21eae
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
2 additions
and
1 deletion
+2
-1
openfold/data/templates.py
openfold/data/templates.py
+2
-1
No files found.
openfold/data/templates.py
View file @
632acfaf
...
@@ -503,7 +503,7 @@ def _get_atom_positions(
...
@@ -503,7 +503,7 @@ def _get_atom_positions(
mmcif_object
:
mmcif_parsing
.
MmcifObject
,
mmcif_object
:
mmcif_parsing
.
MmcifObject
,
auth_chain_id
:
str
,
auth_chain_id
:
str
,
max_ca_ca_distance
:
float
,
max_ca_ca_distance
:
float
,
_zero_center_positions
:
bool
=
Tru
e
,
_zero_center_positions
:
bool
=
Fals
e
,
)
->
Tuple
[
np
.
ndarray
,
np
.
ndarray
]:
)
->
Tuple
[
np
.
ndarray
,
np
.
ndarray
]:
"""Gets atom positions and mask from a list of Biopython Residues."""
"""Gets atom positions and mask from a list of Biopython Residues."""
coords_with_mask
=
mmcif_parsing
.
get_atom_coords
(
coords_with_mask
=
mmcif_parsing
.
get_atom_coords
(
...
@@ -1045,6 +1045,7 @@ class TemplateHitFeaturizer:
...
@@ -1045,6 +1045,7 @@ class TemplateHitFeaturizer:
filtered
=
list
(
filtered
=
list
(
sorted
(
filtered
,
key
=
lambda
x
:
x
.
sum_probs
,
reverse
=
True
)
sorted
(
filtered
,
key
=
lambda
x
:
x
.
sum_probs
,
reverse
=
True
)
)
)
idx
=
list
(
range
(
len
(
filtered
)))
idx
=
list
(
range
(
len
(
filtered
)))
if
(
self
.
_shuffle_top_k_prefiltered
):
if
(
self
.
_shuffle_top_k_prefiltered
):
stk
=
self
.
_shuffle_top_k_prefiltered
stk
=
self
.
_shuffle_top_k_prefiltered
...
...
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment