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Volume Overlap Matrix

Schrödinger extension for KNIME Workbench version by Schrödinger

Calculates a matrix of overlapping volumes between structures. Volumes are computed by treating each molecule as a set of atomic spheres.

Backend implementation

The command line tool phase_volCalc is used to implement this node.

Input Ports

First set of molecules in Maestro format
Second set of molecules in Maestro format

Output Ports

Output matrix in Table format


Std output/error of phase_volCalc
Std output/error of phase_volCalc

Best Friends (Incoming)

Best Friends (Outgoing)


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