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KNIME® Interfaces
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BioSolveIT
The Premier Scientific Solution Provider
BioSolveIT software available in KNIME® now!

KNIME® the Konstanz Information Miner is a modular, extendable data exploration platform to visually create data pipelines. KNIME® is based on the Java and the Eclipse platform and, through its modular API, easily extensible. When desired, custom nodes and types can be implemented in KNIME® within hours thus extending KNIME® to comprehend and provide first-tier support for highly domain-specific data. This modularity and extensibility permits KNIME® to be employed in commercial production environments as well as teaching and research prototyping settings.

BioSolveIT is a supporter of KNIME® and in the process of making its software-tools accessible to all users via KNIME®. Note that these interfaces are distributed separately of KNIME® and available free of charge. KNIME® itself is distributed under open source license and can be used freely as long as the software or extensions built into it are not distributed for commercial gain (see details on the KNIME® web-page).
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Requirements:
—   KNIME® versions 2.0 and later have been tested and confirmed to with the packages on this page.
—   only the most recent version of the respective software package is guaranteed to work with the KNIME® modules
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Supported operating systems: Windows and Linux

testimonials
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"Sehr beeindruckend!", Prof. Michael Berthold, KNIME®-creator and founder of KNIME GmbH
FTrees in KNIME®
Similarity searching is a task that needs to be performed routinely and oftentimes in conjunction with tools in a workflow.

FTrees applications can easily be scripted and automated. With the release of the KNIME® components for FTrees, integration with analysiy tools and workflows is now even simpler.

The FTrees-Interface consists of 3 components. The first main component FTrees Calculator appends a Feature Tree descriptor to molecules in the data-stream entering the node — the Feature Tree is added to the molecule as a new property.

The second main component FTrees Similarity compares the molecules in the pipeline to queries in a defined query file, and appends the similarity values to the molecules as new properties. The FTrees Similarity component can also be used to filter the molecules according to similarity.

The third component FTrees Reader allows you to load previously generated Feature Trees from file and use them as input in the data-stream

FlexX in KNIME®
Performing docking calculations is a routine, yet quite delicate task in every structure-based drug discovery process. Rather than framing it as a black-box approach we have made it particularly target-specific. You can now set up your protein-target for docking guided by an interactive wizard in our new FlexX-GUI. After having satisfied yourself with the performance of the docking you may export all settings including the protein in a target-specific project-file (.fxx) which you can simply reference in this FlexX-in-KNIME® module.
Fragment Spaces in KNIME®
Feature Trees Fragment Spaces (FTrees-FS) is a unique technology which enables the user to perform similarity searches in innumerably large compound spaces. The module, which is available for download comprises not only the search engine but also a Fragment Space ready for searching. This is the so-called KnowledgeSpace based on chemistry protocols from the Journal of Combinatorial Chemistry. More spaces can be found here.

The KNIME®-node for FTrees-FS has one input channel accepting either molecules of Feature Trees as queries for a Fragment Space search. The output channel contains the molecules produced as hits from these searches in the currently loaded space. The space as well as several parameters for the search can be conveniently influenced by the user.

FlexS in KNIME®
Alignments of small molecules can give much insight into structure activity relationships. This very intuitive interface to our FlexS program allows piping in query and a database to screen.
download
The download mechanism follows the install/update philosophy of KNIME® which has changed to some extent between KNIME® 2.0 and 2.1. Please refer to our tutorials how to install the BioSolveIT KNIME® components for KNIME® 2.0 and KNIME® 2.1 for more details.

Briefly the strategy is the following. You configure KNIME® to Find and Install software from now on also at this URL:

http://www.biosolveit.de/KNIME/download/biosolveit_knime_nodes

Then you check for updates for both the BioSolveIT- and the KNIME®-package. Restart KNIME® and you are ready to go.

Alternatively you may use the following links and install the respective package in KNIME® from your local drive:

operating system version download date size FlexIDGen licenses support
independent 1.2.3
zip
21.05.2010 851.4 KB
independent 1.2.3
jar
21.05.2010 851.5 KB

Last modified Monday, 05. Jul 2010 13:57 CEST by WebMaster