What is NCIweb?
NCIweb is a web implementation of the popular
NCIplot code. At the moment,
NCIweb works with promolecular densities. It provides a representation of the non-covalent interactions of a system based on the reduced density gradient of the electron density. More information on the
NCIplot code and the theoretical background can be found
here.
What do I need to use NCIweb?
To use
NCIweb you simply need a PDB or XYZ structure to upload, on which the analysis will be performed. If everything is fine, you will receive an email with your results, including a simple
VMD script for visualization.
For PDB files only, two additional options are available:
- The clean structure checkbox will selectively remove non-protein fragments from the structure.
- The add hydrogens checkbox will add hydrogens to the system using OpenBabel.
Using both options, a PDB structure from a data bank can be directly analyzed.
