Node Connectivity

There are 4972 nodes that can be used as predessesor for a node with an input port of type Generic Port.

DCD Trajectory Reader 

Reader for DCD Files

MD Pharmacophore Creator 

Creates a list of pharmocophores out of a DCD/XTC trajectory and a macromolecule

TRR Trajectory Reader 

Reader for TRR Files

XTC Trajectory Reader 

Reader for XTC Files

Chiralator 

Chirality Calculator

Fingerprint Calculator 

Extended Connectivity Fingerprint Calculator

Fingerprint Similarity Calculator 

Calculates similarity fingerprints between molecules

InChI Generator 

Generate InChIs for molecules

Property Appender 

Appends a new column/property to an input table

Standard Properties 

Standard Properties Calculator