VISTA

Display tool for geometric data (CSD)

Description

VISTA is an interactive analytical and statistical program. It reads the files automatically generated by ConQuest when 3D parameters have been defined for a search of the CSD (or an in-house database). The resulting data can be read directly into VISTA from where all analysis of the search results is carried out. VISTA displays molecular geometry and other parameters relating to a molecular or supramolecular substructure in a spreadsheet format.

VISTA performs a variety of analytical and display functions including generation of:

• Simple descriptive statistics for parameter distributions
• Histograms, scattergrams and polar plots
• Statistical analyses, including linear regression and principal component analysis

VISTA also features:

• Hyperlinking from geometrical data back to the original CSD entry
• Preparation of plots for reports and publications
• Access either from within ConQuest or via the command-line
• UNIX (including Linux) implementations

Usage

Initialise VISTA in Hippu by giving:

module load ccdc

Vista starts with

vista -j jobname

Further information

See VISTA web pages at Cambridge Crystallographic Database home site.