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Commit 5281a7f9 authored by Gerardo Tauriello's avatar Gerardo Tauriello
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SCHWED-2440: Clarify difference between is_protein and peptide_linking.

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......@@ -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.IsPeptideLinking`
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.peptide_linking` 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*.
......
......@@ -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()
......
......@@ -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.IsPeptideLinking>`.
**peptide** (bool): Whether the residue is :attr:`peptide linking
<ResidueHandle.peptide_linking>`.
**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
......
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