Skip to content

Commit a6c5e38

Browse files
committed
updated docstring
1 parent d38a05f commit a6c5e38

1 file changed

Lines changed: 0 additions & 2 deletions

File tree

‎CodeEntropy/levels/axes.py‎

Lines changed: 0 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -265,14 +265,12 @@ def get_UA_axes(self, data_container, index: int, res_position):
265265
- If there are *no* bonds to other residues, use a custom principal axes
266266
from a moment-of-inertia (MOI) tensor that uses positions of heavy atoms
267267
only, but includes masses of heavy atom + bonded hydrogens.
268-
269268
- If bonded to only one other residue, find edge heavy atom
270269
(i.e. heavy atom bonded to neighbour residue). Find all heavy atoms
271270
bonded to edge heavy atom and compute their average position.
272271
Find all other heavy atoms in residue and compute their average position.
273272
The three points are now used to obtain determine residue rotational axes.
274273
(see get_residue_custom_axes)
275-
276274
- If bonded to at least two other residues, find edge heavy atoms
277275
(i.e. heavy atoms bonded to neighbour residues) and find the shortest
278276
chain between them: the backbone. Edge atoms + backbone COM are used

0 commit comments

Comments
 (0)