Read MacroModel

This Node Is Deprecated — This node is kept for backwards-compatibility, but the usage in new workflows is no longer recommended. The documentation below might contain more information.

Opens a MacroModel File.

Options

Filename
Filename of Macromodel File
Output Format
Select the intended cell format for the output database. SDF is the default. For proteins or molecules with precalculated partial charges Mol2 Format is recommended.
Source File Name
If on the source file name will be written to a new column

Input Ports

This node has no input ports

Output Ports

Icon
Input Data

Popular Predecessors

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Popular Successors

  • Database Report100 %

Views

Summary
Displays Runtime Information;

Workflows

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Links

Developers

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Installation

To use this node in KNIME, install the extension MOE Extensions for KNIME from the below update site following our NodePit Product and Node Installation Guide:

v5.3

A zipped version of the software site can be downloaded here.

Plugin provider: Chemical Computing Group ULC.
Plugin version: 2.5.2.20240913
On NodePit since: 2024-07-09
Last update: 2024-11-21
Tags: Deprecated
KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0

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