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Durairaj, Janani
caretta
Commits
c99376b6
Commit
c99376b6
authored
Jan 16, 2020
by
Ninjani
Browse files
minor fix
parent
d36f31a4
Changes
1
Hide whitespace changes
Inline
Side-by-side
caretta/msa_numba.py
View file @
c99376b6
...
...
@@ -64,7 +64,7 @@ def make_pairwise_rmsd_score_matrix(coords_array, secondary_array, lengths_array
dtw_aln_1
,
dtw_aln_2
)
rotation_matrix
,
translation_matrix
=
rmsd_calculations
.
svd_superimpose
(
common_coords_1
[:,
:
3
],
common_coords_2
[:,
:
3
])
common_coords_2
[:,
:
3
]
=
rmsd_calculations
.
apply_rotran
(
common_coords_2
[:,
:
3
],
rotation_matrix
,
translation_matrix
)
score
=
rmsd_calculations
.
get_rmsd
(
common_coords_1
,
common_coords_2
,
gamma
,
True
)
score
=
rmsd_calculations
.
get_rmsd
(
common_coords_1
,
common_coords_2
)
pairwise_matrix
[
i
,
j
]
=
score
pairwise_matrix
+=
pairwise_matrix
.
T
return
pairwise_matrix
...
...
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