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The Interactive SeeSAR Viewer lets you visually inspect
protein-ligand complexes. You can browse through the poses
and assess the complex with Hyde.
All entries of the sd file can be shown in the table. So you
might want to use the "SDF Inserter" node to add more columns
you want to see in the SeeSAR table.
SeeSAR has to be licensed separately, see
http://www.biosolveit.de/SeeSAR/ for more details.
Options
Input Ports
- Library: Input table with a molecule column in sdf or mol2 format with 3D coordinates. Please note that the molecules have to be located within the Binding Site, otherwise they cannot be assessed with Hyde in SeeSAR.
- PDB: Input table with a protein column in pdb format.
If a SeeSAR project is given, the protein will be ignored. 
- SeeSAR Project - defined e.g. by the
"Assess Affinity with Hyde in SeeSAR" node.
Protein will be ignored, if project is given.
Popular Predecessors
- Load Local PDB Files4 %
Loop End4 %- MarvinSketch4 %
- Hierarchical Clustering2 %
- Concatenate2 %
- GroupBy2 %
- SDF Reader2 %
- Parallel Chunk End2 %
- Column Filter2 %
- Chemical Space Searcher (FTrees)< 1 %
- Row Sampler< 1 %
- PDB Loader< 1 %
- PDB Downloader< 1 %
Table Reader< 1 %Row Filter (deprecated)< 1 %- Sorter< 1 %
- Save Workflow< 1 %
- Molecule Type Cast< 1 %
- 3D RMSD< 1 %
Views
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Workflows
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Links
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