Molecula Paclet Symbol
MSetCoordinates
MDescriptorValue
MNextLevel
MAtomType
MId
MLabel
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Molecula Data Structure
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MCoordinates
MCoordinates[
ato
,
coordsys
]
returns the
ato
coordinates in the coordinates system
coordsys
if defined.
MORE INFORMATION
ato
is a molecula hierarchical expression with head
MAtom
.
The coordinates relatives to the different coordinates systems are stored as values of descriptor
"Coordinates"
of
ato
.
coordsys
is a string or a symbol pointing to a coordinates system. By default, loading a PDB file, only the
Cartesian
coordinates system is defined.
EXAMPLES
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Basic Examples
(1)
In[1]:=
Loads a sample atom:
In[2]:=
Out[2]=
Get the cartesian coordinates:
In[3]:=
Out[3]=
Neat Examples
(1)
SEE ALSO
MSetCoordinates
MDescriptorValue
MNextLevel
MAtomType
MId
MLabel
MORE ABOUT
Molecula Data Structure