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  3. Molekel - Wikipedia
Molekel - Wikipedia
From Wikipedia, the free encyclopedia
Molekel
DeveloperSwiss National Supercomputing Centre
Stable release
5.4 / August 2009; 16 years ago (2009-08)
Operating systemLinux, Microsoft Windows, Mac OS X
TypeMolecular modelling
LicenseGNU General Public License
Websiteugovaretto.github.io/molekel/
Repository
Electron density plot of the norbornyl cation determined using DFT with a mapping of mulliken electrostatic potential- B3LYP/6-31G* in Gaussian03, picture drawn in molekel using Gaussian cube file; Positive charge is colored blue in this picture.

Molekel is a free software multiplatform molecular visualization program.[1] It was originally developed at the University of Geneva by Peter F. Flükiger in the 1990s for Silicon Graphics Computers. In 1998, Stefan Portmann took over responsibility and released Version 3.0. Version 4.0 was a nearly platform independent version. Further developments lead to version 4.3, before Stefan Portmann moved on and ceased to develop the codes. In 2006, Ugo Varetto at the Swiss National Supercomputing Centre (CSCS) restarted the project and version 5.0 was released on 21 December 2006.[2]

Molekel uses VTK and Qwt and therefore as well Qt.

Major features

  • Visualization of residues (ribbon or schematic)
  • Complete control over the generation of molecular surfaces (bounding box and resolution)
  • Visualization of the following surfaces:

See also

References


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