KNIME Summit
KNIME Fall Summit 2019
Data Science in Action: Nov 5-8, Austin TX
3 544 results
- Calculate the RMSD and maximum atomic displacement between a reference structure and a set of conformers. The set of atoms to superpose can be defined via an ASL expression. The following ASL expressi…Source
- Molecular dynamics jobs simulate the Newtonian dynamics of the model system, producing a trajectory of the particles, coordinates, velocities, and energies, on which statistical analysis can be perfor…Source
- Minimize molecules using MacroModel Backend implementation scripts/mmodCLI.py run by cmdRunner.py The script mmodCLI.py is passed to cmdRunner.py to implement this node.Source
- This node for connecting to relational databases using JDBC. See JDBC home site for more details on JDBC connections. The JDBC driver you are using will provide information on setting the url property…Other
- Stores the location of Desmond Composite Model System files (.cms, .cmsgz and .cms.gz). To remove files from the list select the file and press the 'Delete' key. To select all files in the list press …Source
- Hierarchical Clustering based on a pairwise distance matrix. Available linkage types: single complete average centroid mcquitty ward weightedcentroid flexiblebeta schrodinger Backend implementation ut…Source
- Multi-dimension scaling driver program Backend implementation utilities/canvasMDS canvasMDS is used to implement this node.Source
- Search a protein sequence database using BLAST Note: To enable web-based searching, please ensure the option "Allow use of web server for BLAST searches" found in the Jobs panel of Maestro preferences…Source
- Reactor is a virtual reaction processing tool which transforms starting compounds to products according to a given chemical reaction definition. The reaction scheme defines the way that the reactants …Manipulator
- Executes idempotent query. This node is used for retrieving information from the database. Suggested commands: select, traverse, expand, match, shortestPath.Source
