Basic Examples (3)
Basic Examples
(3)
Interactively select the imidazole ring inside of ATP:
In[1]:=
mol=Molecule["adenosine triphosphate"]
Out[1]=
Molecule
In[2]:=
atoms=[mol];
Return the atoms:
In[3]:=
atoms
Out[3]=
{6,10,9,8,7}
Verify using :
In[4]:=
Values@FindMoleculeSubstructure[mol,MoleculePattern["c1c[n]cn1"]]
Out[4]=
{{6,7,8,9,10}}