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schwede
openstructure
Commits
e8f65d28
Verified
Commit
e8f65d28
authored
2 years ago
by
Xavier Robin
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doc: IsLigand and IsProtein
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c445be69
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modules/mol/base/doc/entity.rst
+26
-0
26 additions, 0 deletions
modules/mol/base/doc/entity.rst
modules/mol/base/pymod/export_residue.cc
+2
-2
2 additions, 2 deletions
modules/mol/base/pymod/export_residue.cc
with
28 additions
and
2 deletions
modules/mol/base/doc/entity.rst
+
26
−
0
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e8f65d28
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@@ -691,6 +691,8 @@ The Handle Classes
pdb.org. When loading MMCIF structures, this property is set based on
`seqres` information and differs from PDB structures.
Also available as :meth:`IsLigand`, :meth:`SetIsLigand`.
:type: bool
.. attribute:: is_protein
...
...
@@ -701,6 +703,8 @@ The Handle Classes
:meth:`IsPeptideLinking` this excludes residues which are not connected to
neighbouring residues such as CA-only residues or badly positioned ones.
:type: bool
.. attribute:: peptide_linking
Whether residue can form peptide bonds. This is determined based on
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@@ -857,6 +861,28 @@ The Handle Classes
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
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modules/mol/base/pymod/export_residue.cc
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−
2
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e8f65d28
...
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@@ -214,10 +214,10 @@ void export_Residue()
.
add_property
(
"chem_type"
,
&
ResidueBase
::
GetChemType
)
.
add_property
(
"is_ligand"
,
&
ResidueBase
::
IsLigand
,
&
ResidueBase
::
SetIsLigand
)
.
def
(
"IsLigand"
,
&
ResidueBase
::
IsLigand
)
.
def
(
"SetIsLigand"
,
&
ResidueBase
::
SetIsLigand
)
.
def
(
"SetIsLigand"
,
&
ResidueBase
::
SetIsLigand
,
arg
(
"ligand"
)
)
.
add_property
(
"is_protein"
,
&
ResidueBase
::
IsProtein
,
&
ResidueBase
::
SetIsProtein
)
.
def
(
"IsProtein"
,
&
ResidueBase
::
IsProtein
)
.
def
(
"IsProtein"
,
&
ResidueBase
::
IsProtein
,
arg
(
"protein"
)
)
.
def
(
"SetIsProtein"
,
&
ResidueBase
::
SetIsProtein
)
.
add_property
(
"number"
,
make_function
(
&
ResidueBase
::
GetNumber
,
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