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MolConfGen

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

: Input Molecules

Output Ports

: Output Molecules

Popular Predecessors

Popular Successors

Views

name of first view: Description of first view...

Workflows

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Developers

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Installation

To use this node in KNIME, install the extension Molsoft Knime Nodes from the below update site following our NodePit Product and Node Installation Guide:

v4.5

Plugin provider: Molsoft LLC

Plugin version: 1.0.2.25

On NodePit since: 2021-12-06

Last update: 2022-04-19

KNIME versions: From v3.6 to v4.5

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