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Verified Commit e8f65d28 authored by Xavier Robin's avatar Xavier Robin
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doc: IsLigand and IsProtein

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...@@ -691,6 +691,8 @@ The Handle Classes ...@@ -691,6 +691,8 @@ The Handle Classes
pdb.org. When loading MMCIF structures, this property is set based on pdb.org. When loading MMCIF structures, this property is set based on
`seqres` information and differs from PDB structures. `seqres` information and differs from PDB structures.
Also available as :meth:`IsLigand`, :meth:`SetIsLigand`. Also available as :meth:`IsLigand`, :meth:`SetIsLigand`.
:type: bool
.. attribute:: is_protein .. attribute:: is_protein
...@@ -701,6 +703,8 @@ The Handle Classes ...@@ -701,6 +703,8 @@ The Handle Classes
:meth:`IsPeptideLinking` this excludes residues which are not connected to :meth:`IsPeptideLinking` this excludes residues which are not connected to
neighbouring residues such as CA-only residues or badly positioned ones. neighbouring residues such as CA-only residues or badly positioned ones.
:type: bool
.. attribute:: peptide_linking .. attribute:: peptide_linking
Whether residue can form peptide bonds. This is determined based on Whether residue can form peptide bonds. This is determined based on
...@@ -857,6 +861,28 @@ The Handle Classes ...@@ -857,6 +861,28 @@ The Handle Classes
See :attr:`valid` See :attr:`valid`
.. method:: IsLigand()
See :attr:`is_ligand`
.. method:: SetIsLigand()
Set the :meth:`IsLigand` flag explicitly.
:param ligand: Whether this residue is a ligand or not
:type ligand: bool
.. method:: IsProtein()
See :attr:`is_protein`
.. method:: SetIsProtein()
Set the :meth:`IsProtein` flag explicitly.
:param protein: Whether this residue is a protein or not
:type protein: bool
.. class:: AtomHandle .. class:: AtomHandle
......
...@@ -214,10 +214,10 @@ void export_Residue() ...@@ -214,10 +214,10 @@ void export_Residue()
.add_property("chem_type", &ResidueBase::GetChemType) .add_property("chem_type", &ResidueBase::GetChemType)
.add_property("is_ligand", &ResidueBase::IsLigand, &ResidueBase::SetIsLigand) .add_property("is_ligand", &ResidueBase::IsLigand, &ResidueBase::SetIsLigand)
.def("IsLigand", &ResidueBase::IsLigand) .def("IsLigand", &ResidueBase::IsLigand)
.def("SetIsLigand", &ResidueBase::SetIsLigand) .def("SetIsLigand", &ResidueBase::SetIsLigand, arg("ligand"))
.add_property("is_protein", &ResidueBase::IsProtein, .add_property("is_protein", &ResidueBase::IsProtein,
&ResidueBase::SetIsProtein) &ResidueBase::SetIsProtein)
.def("IsProtein", &ResidueBase::IsProtein) .def("IsProtein", &ResidueBase::IsProtein, arg("protein"))
.def("SetIsProtein", &ResidueBase::SetIsProtein) .def("SetIsProtein", &ResidueBase::SetIsProtein)
.add_property("number", .add_property("number",
make_function(&ResidueBase::GetNumber, make_function(&ResidueBase::GetNumber,
......
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