Active Workflow >> Local PC >> Molecular Simulation Active Workflow


Molecular Simulation Active workflow performs modelling, docking and MD (molecular dynamics). It uses SOAP services as KNIME nodes (components).


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Please refer to a manual of each version for installation and usage.

-- Molecular Simulation Active Workflow (Windows) 
Molecular Simulation Active Workflow requires the following files to run: (click to download)
1. KNIME package (.zip zipped file)
2. Installation manual for KNIME and combination type active workflow
3. Combination type active workflow user's manual
4. readMe


-- Molecular Simulation Active Workflow (Linux 64bit) 
Molecular Simulation Active Workflow requires the following files to run: (click to download)
1. KNIME package (.tgz gzipped file, 64bit)
2. Installation manual for KNIME and combination type active workflow
3. Combination type active workflow user's manual
4. readMe


-- Molecular Simulation Active Workflow (MacOS) 
Molecular Simulation Active Workflow requires the following files to run: (click to download)
1. KNIME package (.tgz gzipped file)
2. Installation manual for KNIME and combination type active workflow
3. Combination type active workflow user's manual
4. readMe

Samples for testing modelling, docking and MD in this workflow
Sample.fasta (fasta format)

Samples for testing docking and MD in this workflow
3TNV.pdb (target, only A chain, ligand-removed)

Molecular Simulation Active Workflow is lisenced under Creative Commons Lisence. Please see the readMe file for credit (reference).

Creative Commons License
Molecular Simulation WF  is licensed under a Creative Commons Non-commercial 4.0 International License.