Published April 21, 2017
| Version v1.0.0
Software
Open
3D-e-Chem/knime-silicos-it: v1.0.0
Creators
- 1. Nederlands eScience Center
- 2. Vrije Universiteit Amsterdam
Description
KNIME nodes and example workflows for software made by Silicos-it like shape-it to align molecules based on shape and align-it to align molecules based on their pharmacophore.
Added
- Metanodes to execute align-it, filter-it, qed, shape-it and strip-it (#2)
- Node to read *.phar pharmacophore file format (#1)
Files
3D-e-Chem/knime-silicos-it-v1.0.0.zip
Files
(1.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:859ea68de6dea6a1352c27084b7f9788
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1.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/3D-e-Chem/knime-silicos-it/tree/v1.0.0 (URL)