Molecula Paclet Symbol
MAngle
MDihedral
MGeometricCenter
MToVector
MToNormedVector
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Molecula Geometry Functions
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MDistance
MDistance[ {
ato1
,
ato2
}
]
returns the geometric distance between the atoms ato1 and ato2 in Angstrom (
).
MDistance[ {{
ato1
,
ato2
}
, {
atoi
,
atoj
}
,
...
}
]
returns the geometric distance in Angstrom (
) computed for each pair of atoms.
MORE INFORMATION
ato1
and
ato2
are molecula hierarchical expressions with head
MAtom
.
Cartesian coordinates are used to compute the distance.
EXAMPLES
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Basic Examples
(1)
In[1]:=
Loads a set of sample atoms:
In[2]:=
Out[2]=
Compute the distance:
In[3]:=
Out[3]=
Loads all pairs of atoms C5' and C4' of the molecule:
In[4]:=
Computes all C5' C4' distances:
In[5]:=
Out[5]=
SEE ALSO
MAngle
MDihedral
MGeometricCenter
MToVector
MToNormedVector
MORE ABOUT
Molecula Geometry Functions