Molekel

{{Infobox software

|name = Molekel

|logo =

|developer = Swiss National Supercomputing Centre

|latest_release_version = 5.4

|latest_release_date = {{Start date and age|2009|08}}

|operating_system = Linux, Microsoft Windows, Mac OS X

|genre = Molecular modelling

|license = GNU General Public License

|website = {{URL|https://ugovaretto.github.io/molekel/}}

}}

File:WinsteinYellow.jpg

Molekel is a free software multiplatform molecular visualization program.[http://baoilleach.blogspot.com/2010/06/visualising-orbitals-and-density-with.html Noel O'Blog] 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, the Swiss National Supercomputing Centre (CSCS) restarted the project and version 5.0 was released on 21 December 2006.[http://molekel.cscs.ch/wiki/pmwiki.php/ReferenceGuide/Introduction Molekel About] {{webarchive|url=https://web.archive.org/web/20090827193855/http://molekel.cscs.ch/wiki/pmwiki.php/ReferenceGuide/Introduction |date=2009-08-27 }}

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:

:* orbitals

:* Isosurface from electron density data

:* Isosurface from Gaussian cube grid data

:* Solvent-accessible surface (SAS)

:* Solvent excluded surface (SES)

:* Van der Waals radii