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Studer Gabriel authored
GetRepr identifies the best possible representation of a reference substructre in a model including chain mapping etc. It also enriches it with attributes/scores that are useful to analyse binding sites etc. Enforcing a global mapping fully defines the desired representation in the model but extracts it and enriches it with all the nice attributes of the GetRepr output.
Studer Gabriel authoredGetRepr identifies the best possible representation of a reference substructre in a model including chain mapping etc. It also enriches it with attributes/scores that are useful to analyse binding sites etc. Enforcing a global mapping fully defines the desired representation in the model but extracts it and enriches it with all the nice attributes of the GetRepr output.