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MolConfGen

Molsoft Nodes for KNIME Workbench version 1.0.1.0099 by Molsoft LLC

KNIME node interface to _confGen script

Options

Sample Rings
Sample flexible rings
Sample CisTrans
Sample cis/trans configuration around double bond
Cartesian minimization
Cartesian minimization
Sample pyramid nitrogen
Sample pyramid nitrogen
Number of Parallel Processes
(Unix/Mac only) spawn addition docking jobs

Input Ports

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Input Molecules

Output Ports

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Output Molecules

Views

name of first view
Description of first view...

Best Friends (Outgoing)

Installation

To use this node in KNIME, install Molsoft Knime Nodes from the following update site:

KNIME 4.3

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Developers

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