Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
RobertNachbar`MoleculeComplex`
FindCoordinationBonds  |
|
| | ||||
Details and Options
Examples
(1)
Basic Examples
(1)
Build the molecule complex magnesium hexahydrate:
In[1]:=
magnesiumHexahydrate=MoleculeComplex
;
 |
|
Find the coordination bonds:
In[2]:=
cBonds=
[magnesiumHexahydrate]
 | FindCoordinationBonds |
Out[2]=
{{{1,1},{2,1}},{{1,1},{3,1}},{{1,1},{4,1}},{{1,1},{5,1}},{{1,1},{6,1}},{{1,1},{7,1}}}
Compute the coordination bond distances:
In[3]:=
 | MoleculeComplexDistance |
Out[3]=
,,,,,
2.07622
Å
2.07622
Å
2.07623
Å
2.07622
Å
2.07622
Å
2.07622
Å
Display the coordination bonds:
In[4]:=
| MoleculeComplexPlot3D |
Out[4]=
 |
|
 |
|
""