adjacency/connection table

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1

 

Hi,

Does anyone know how to extract the adjacency matrix /connection table from a molecule/sdf file? The output should be compatible with the connection table/ ad matrix 'network' nodes in Knime.

 

Many thanks

2

Hi,

I don't think there is a generic node for that. My best guess is to treat the SDF as string or plain text and try to parse it using either a scripting node or perhaps some existing text utility nodes.

Stephan

3

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