BioSolveIT Plugins version 2.12.0.0001047 by BioSolveIT GmbH
This node performs FlexS 3D alignments. The approach used here is to have a query molecule which is
used as a so-called reference, and a molecule data stream (library) at the input ports.
The library molecules will be aligned onto the reference molecule and the aligned
conformations will be sent to the output port.
The node is an interface to trigger external FlexS runs that perform 3D molecular alignments. The path to the external FlexS executable has to be configured in
File -> Preferences -> KNIME -> BioSolveIT Settings -> FlexS
Please mind: FlexS has to be licensed and installed separately.
The easiest way to install FlexS is to install the BioSolveIT KNIME binary package for FlexS.
See http://www.biosolveit.de/FlexS/ for more details.
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