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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -80,8 +80,8 @@ def get_residue_axes(
8080
8181 - If bonded to only one other residue:
8282 * Translational axes are principal axes of data_container.
83- * Find edge heavy atom (i.e. heavy atoms bonded to neighbour residue).
84- Find all heavy atoms bonded to edge heavy atom and compute their average
83+ * Find edge heavy atom (i.e. heavy atoms bonded to next residue). Find
84+ all heavy atoms bonded to edge heavy atom and compute their average
8585 position. Find all other heavy atoms in residue and compute their average
8686 position.The three points are now used to obtain determine residue
8787 rotational axes. (see get_residue_custom_axes) Compute a custom MOI,
@@ -90,8 +90,8 @@ def get_residue_axes(
9090 - If bonded to at least two other residues:
9191 * Translational axes are principal axes of data_container.
9292 * Find edge heavy atoms (i.e. heavy atoms bonded to neighbour residues)
93- and find the shortest chain between them: the backbone. Edge
94- atoms + backbone COM are used to determine residue rotational axes.
93+ and find the shortest chain between them: the backbone. Edge atoms
94+ + backbone COM are used to determine residue rotational axes.
9595 (see get_residue_custom_axes). Compute a custom MOI, using heavy
9696 atom positions and heavy atom + hydrogen masses.
9797
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