| ChemicalOperator {rPDBapi} | R Documentation |
Chemical Operator for SMILES/InChI Searches
Description
Creates an object representing a chemical search operator using SMILES or InChI descriptors.
Usage
ChemicalOperator(descriptor, matching_criterion = "graph-strict")
Arguments
descriptor |
A valid SMILES or InChI string. |
matching_criterion |
The criterion for matching, one of the values from DescriptorMatchingCriterion. Defaults to "graph-strict". |
Value
A list representing a chemical operator.
[Package rPDBapi version 1.3 Index]