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Volume Overlap Matrix

Schrödinger extension for KNIME Workbench version 20.4.144.202011110821 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

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

Input Ports

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

Output Ports

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Output matrix in Table format

Views

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

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:

KNIME 4.3

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Developers

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