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Merge pharmacophore points

KNIME nodes to read/write pharmacophore files and align them version 1.0.4.v201909241614 by Netherlands eScience Center

Create pharmacophores from points with x, y, z coordinate, type, alpha and optional direction x,y, z coordinate.

The coordinate columns must be a List of 3 doubles or a DoubleVector of size 3, filed with the x, y, z values.

Options

Pharmacophore identifier
The column containing the pharmacophore identifier
Point coordinate
The column containing the coordinate of the pharmacophore point
Pharmacophore type
The column containing the type of the pharmacophore point
Alpha (*)
The column containing the alpha of the pharmacophore point
Direction coordinate (*)
The column containing the coordinate of the direction

Input Ports

Table with the pharmacophore points

Output Ports

Table with Pharmacophores

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install 3D-e-Chem KNIME nodes from the following update site:

KNIME 4.1
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Developers

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