Wolfram Function Repository
Instant-use add-on functions for the Wolfram Language
Function Repository Resource:
Provide a molecule pattern for a ring of a given size or composition
ResourceFunction["MoleculeRingPattern"][n] returns a molecule pattern representing an n-membered ring. | |
ResourceFunction["MoleculeRingPattern"][{a1,a2,…}] returns a molecule pattern with the atoms ai arranged in a ring. |
Find the positions of all 5-membered rings in adenosine:
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Find and highlight 5-membered and 6-membered rings together:
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Create a pattern for a 6-membered ring containing at least one oxygen atom:
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Test for the existence of a pattern with MoleculeContainsQ:
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Use FindMoleculeSubstructure to find the indices for a pattern inside a molecule:
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Use a ring pattern in a substructure replacement:
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Search through a list for molecules matching a particular pattern. Start with a list of 25 molecules:
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