Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
O
openstructure
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Container registry
Model registry
Analyze
Contributor analytics
Repository analytics
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
schwede
openstructure
Commits
5281a7f9
Commit
5281a7f9
authored
7 years ago
by
Gerardo Tauriello
Browse files
Options
Downloads
Patches
Plain Diff
SCHWED-2440: Clarify difference between is_protein and peptide_linking.
parent
2eca1d9a
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
3
Hide whitespace changes
Inline
Side-by-side
Showing
3 changed files
modules/conop/doc/functions.rst
+4
-4
4 additions, 4 deletions
modules/conop/doc/functions.rst
modules/mol/base/doc/entity.rst
+11
-4
11 additions, 4 deletions
modules/mol/base/doc/entity.rst
modules/mol/base/doc/query.rst
+3
-3
3 additions, 3 deletions
modules/mol/base/doc/query.rst
with
18 additions
and
11 deletions
modules/conop/doc/functions.rst
+
4
−
4
View file @
5281a7f9
...
...
@@ -7,10 +7,10 @@ Conop Functions
AssignBackboneTorsions(chain)
AssignBackboneTorsions(residues)
Assigns the backbone torsions PHI, PSI and OMEGA. The backbone atoms
are
required to be connected for the torsions to be added. In addition,
only
residues for which :
meth
:`~ost.mol.ResidueHandle.
IsP
eptide
L
inking`
returns True are
considered.
Assigns the backbone torsions PHI, PSI and OMEGA. The backbone atoms
are
required to be connected for the torsions to be added. In addition,
only
residues for which :
attr
:`~ost.mol.ResidueHandle.
p
eptide
_l
inking`
is True are
considered.
The first signature assigns the torsions to *res*, assuming prev is
the amino acid before, and *next* is the amino acid next to *res*.
...
...
This diff is collapsed.
Click to expand it.
modules/mol/base/doc/entity.rst
+
11
−
4
View file @
5281a7f9
...
...
@@ -545,7 +545,16 @@ The Handle Classes
Whether the residue is considered to be part of a protein. This is set when
loading a structure if the residue forms a feasible peptide bond to the
previous or next residue (see :meth:`~ost.conop.IsBondFeasible`). Also
available as :meth:`IsProtein`, :meth:`SetIsProtein`.
available as :meth:`IsProtein`, :meth:`SetIsProtein`. In contrast to
:meth:`IsPeptideLinking` this excludes residues which are not connected to
neighbouring residues such as CA-only residues or badly positioned ones.
.. attribute:: peptide_linking
Whether residue can form peptide bonds. This is determined based on
:attr:`chem_class` which is set when loading the structure.
:type: :class:`bool`
.. attribute:: index
...
...
@@ -569,9 +578,7 @@ The Handle Classes
.. method:: IsPeptideLinking()
:return: True, if residue can form peptide bonds (determined based on
:attr:`chem_class` set when loading the structure).
:rtype: :class:`bool`
See :attr:`peptide_linking`
.. method:: GetChain()
...
...
This diff is collapsed.
Click to expand it.
modules/mol/base/doc/query.rst
+
3
−
3
View file @
5281a7f9
...
...
@@ -192,11 +192,11 @@ all beta sheets or "coil" for any type of coil.
**rindex** (int): :attr:`Index<ResidueHandle.index>` of residue handle in chain.
This index is the same for views and handles.
**peptide** (bool): Whether the residue is :
meth
:`peptide linking
<ResidueHandle.
IsP
eptide
L
inking>`.
**peptide** (bool): Whether the residue is :
attr
:`peptide linking
<ResidueHandle.
p
eptide
_l
inking>`.
**protein** (bool): Whether the residue is considered to be
:attr:`part of a protein <ResidueHandle.is_protein>`.
:attr:`part of a
connected
protein <ResidueHandle.is_protein>`.
**rbfac** (float): average B (temperature) factor of residue
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment