This node writes the Positive, Negative, Van der Waals and Hydrophobic surfaces for the input molecules to a directory. The surfaces can be written in ccp4, cube, insight or moe format.
This node wraps the Forge™ executable 'fsurface', which must be installed with a valid license for this node to work. If this is installed in the default location on Windows, then it should be found automatically. Otherwise, you must either set the 'Cresset Home' preference setting or the CRESSET_HOME environment variable to the base Cresset software install directory. You may also set the 'fsurface Path' preference setting or the CRESSET_FORGESURFACE_EXE environment variable to point directly at the executable itself.
For more information visit www.cresset-group.com or contact us at email@example.com.
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To use this node in KNIME, install the extension Cresset KNIME Nodes from the below update site following our NodePit Product and Node Installation Guide:
A zipped version of the software site can be downloaded here.
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