IsoStar

A Knowledge Base of Intermolecular Interactions (CSD)

Description

CCDC's first knowledge base, IsoStar, stores knowledge about intermolecular interactions in the form of scatterplots. Each scatterplot shows the distribution of a contact group (for example, an O-H donor group) around a specific central group (for example, a charged carboxylate group) displayed in a RasMol window.

Usage

Using IsoStar on Hippu:

Cambridge Structural Database and programs related to it are available both by the module command.

By typing the command on Hippu

 module load ccdc

you have access to programs Conquest, PreQuest, Vista, Mercury, Mogul, and SuperStar. To access IsoStar, you need to type

isostar

Manuals

Electronic form of the Superstar manual can be accessed from the CCDC website:

• IsoStar manual

More info about IsoStar and other CCDC products

• CCDC home page gives you a detailed description of all software products with scientific examples.

Reference

1. Isostar: A library of information about non-bonded interactions
   I. J. Bruno, J. C. Cole, J. P. M. Lommerse, R. S. Rowland, R. Taylor and M. L. Verdonk, J. Comput.-Aided Mol. Des., 11, 525-537, 1997

2. The Protein Data Bank
   H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov and P. E. Bourne, Nucleic Acids Res., 28, 235-242, 2000