KNIME node to calculate subfamily specific two entropy analysis (ss-TEA) score.
The ss-TEA can identify specific ligand binding residue positions for any receptor, predicated on high quality sequence information.
See reference at https://doi.org/10.1186/1471-2105-12-332 for a description of the score.
- KNIME, https://www.knime.org
Steps install ss-TEA KNIME node:
- Goto Help > Install new software ... menu
- Press add button
- Fill text fields with
- Select --all sites-- in work with pulldown
- Open KNIME 3D-e-Chem Contributions folder
- Select ss-TEA
- Install software & restart
See example workflow at examples/ss-TEA-example.zip.
It can be run by importing it into KNIME as an archive.
Jar has been made in
An Eclipse update site will be made in
Steps to get development environment setup based on https://github.com/knime/knime-sdk-setup#sdk-setup:
- Install Java 8
- Install Eclipse for RCP and RAP developers
- Configure Java 8 inside Eclipse Window > Preferences > Java > Installed JREs
- Import this repo as an Existing Maven project
- Activate target platform by going to Window > Preferences > Plug-in Development > Target Platform and check the
KNIME Analytics Platform (4.0) - nl.esciencecenter.e3dchem.knime.sstea.targetplatform/KNIME-AP-4.0.targettarget definition.
During import the Tycho Eclipse providers must be installed.
Tests for the node are in
Tests can be executed with
mvn verify, they will be run in a separate Knime environment.
Unit tests written in Junit4 format can be put in
- Update versions in pom files with
mvn org.eclipse.tycho:tycho-versions-plugin:set-version -DnewVersion=<version>-SNAPSHOTcommand.
- Commit and push changes
- Create package with
mvn package, will create update site in
- Append new release to 3D-e-Chem update site
- Make clone of https://github.com/3D-e-Chem/3D-e-Chem.github.io repo
- Append release to 3D-e-Chem update site with
mvn install -Dtarget.update.site=<3D-e-Chem repo/updates>
- Commit and push changes in this repo and 3D-e-Chem.github.io repo
- Make nodes available to 3D-e-Chem KNIME feature by following steps at https://github.com/3D-e-Chem/knime-node-collection#new-release