Cresset KNIME Nodes version 2.6.0.41359 by www.cresset-group.com
XedMin is a simple minimiser. It takes the input structures in SDF format, minimises each of them using the XED3 force field.
This node wraps the XedMin executable 'XedMin', 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 "xedmin" preference setting or the CRESSET_XEDMIN_EXE environment variable to point directly at the executable itself.
For more information visit www.cresset-group.com or contact us at support@cresset-group.com.
To use this node in KNIME, install Cresset KNIME Nodes from the following update site:
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