Wolfram Language Paclet Repository
Community-contributed installable additions to the Wolfram Language
WolframChemistry`ChemistryFunctions`
RingPattern |
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Details and Options
Examples
(3)
Basic Examples
(3)
Find the positions of all 5-membered rings in adenosine:
In[1]:=
FindMoleculeSubstructureMolecule["adenosine"],
[5],All
 | RingPattern |
Out[1]=
{16,27,38,49,510,111,212,313,416,518}
Find and highlight 5-membered and 6-membered rings together:
In[2]:=
MoleculePlotMolecule["adenosine"],"5–membered rings"
[5],"6–membered rings"
[6]
| RingPattern |
| RingPattern |
Out[2]=
Contents cannot be rendered at this time; please try again later
Create a pattern for a 6-membered ring containing at least one oxygen atom:
In[1]:=
MoleculePlotMolecule["O=C([C@@H]1O[C@@H](O[P@](=O)(O[P@@](=O)(OC[C@H]2O[C@H](N3CN=C4C3=NCN=C4N([H])[H])C(=O)C2=O)O[H])O[H])C(=O)C(=O)C1=O)[H]"],
[{"O",_,_,_,_,_}]
| RingPattern |
Out[1]=
Contents cannot be rendered at this time; please try again later
Define a ring pattern using a list of atom types:
In[1]:=
patt=
[{"C","C","O",_,"N",_}]
| RingPattern |
Out[1]=
MoleculePattern
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Search through a list of molecules for the pattern:
In[2]:=
SeedRandom[1234];Select
[300],MoleculeContainsQ[patt]
| RandomMolecule |
Out[2]=
Molecule
,Molecule
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Visualize the matches:
In[3]:=
MoleculePlot[#,patt]&/@%
Out[3]=
Contents cannot be rendered at this time; please try again later
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""