Steps required to install software required for tutorial
Install KNIME 3.3.1 + all free extensions from https://www.knime.org/downloads/overview
In KNIME go to Help > Install New Software…
Add the following update site: https://3d-e-chem.github.io/knime-node-collection
Click the checkbox and install the 3D-e-Chem KNIME node collection, then restart KNIME
The GPCRdb, KLIFS, Molviewer and ss-TEA nodes are ready to be used.
To be able to use the SyGMa and KripoDB nodes, do the following:
Install Miniconda for Python 2.7 from https://conda.io/miniconda.html
Open the Anaconda Prompt and execute the following commands:
conda install -c 3d-e-Chem -c rdkit -c conda-forge pandas protobuf rdkit git scipy sygma
pip install git+https://github.com/3D-e-Chem/kripodb.git
In KNIME go to File > Preferences > KNIME > Python and select your new Python executable (e.g. C:\ProgramData\Miniconda2\python.exe)
To be able to use the PLANTS nodes, do the following:
In KNIME go to Help > Install New Software…
Add the following update site: https://3d-e-chem.github.io/updates
Check the KNIME PLANTS checkbox and install, then restart KNIME
The PLANTS executable can be downloaded from http://www.mnf.uni-tuebingen.de/fachbereiche/pharmazie-und-biochemie/pharmazie/pharmazeutische-chemie/pd-dr-t-exner/research/plants.html