J-ICE

Entered: Mon Feb 13 2012

Operating systems:

Type:

Languages: Java

Distribution: Free

Application fields: Modelling

Bibliography: Canepa, P., Hanson, R. M., Ugliengo, P. & Alfredsson, M. (2011). J. Appl. Cryst. 44, 225-229.

Description: A new interface for Jmol has been developed, called J-ICE, for handling and visualizing crystallographic and electronic properties entirely via a web server, i.e. without the burden of installing complex packages. J-ICE can also be employed as an import/export tool, to transform universal CIF or Protein Data Bank structure files (from experiment or previous calculations) into an input format compatible with programs such as CRYSTAL09, CASTEP, QUANTUM ESPRESSO and VASP.

References: http://j-ice.sourceforge.net/ondemand/index.html