Molekel is a

free software Free software, libre software, libreware sometimes known as freedom-respecting software is computer software distributed open-source license, under terms that allow users to run the software for any purpose as well as to study, change, distribut ...

multiplatform molecular visualization program. It was originally developed at the

University of Geneva The University of Geneva (French: ''Université de Genève'') is a public university, public research university located in Geneva, Switzerland. It was founded in 1559 by French theologian John Calvin as a Theology, theological seminary. It rema ...

by Peter F. Flükiger in the 1990s for

Silicon Graphics Silicon Graphics, Inc. (stylized as SiliconGraphics before 1999, later rebranded SGI, historically known as Silicon Graphics Computer Systems or SGCS) was an American high-performance computing manufacturer, producing computer hardware and soft ...

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.Molekel About
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 Electron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typical ...

data :* Isosurface from Gaussian cube grid data :* Solvent-accessible surface (SAS) :* Solvent excluded surface (SES) :* Van der Waals radii * Animation of molecular surfaces * Export to

PostScript PostScript (PS) is a page description language and dynamically typed, stack-based programming language. It is most commonly used in the electronic publishing and desktop publishing realm, but as a Turing complete programming language, it c ...

TIFF Tag Image File Format or Tagged Image File Format, commonly known by the abbreviations TIFF or TIF, is an image file format for storing raster graphics images, popular among graphic artists, the publishing industry, and photographers. TIFF is w ...

References

External links

Molekel home page
Chemistry software for Linux Free chemistry software Molecular modelling software Science software that uses Qt Software that uses VTK {{molecular-modelling-software-stub

Major features

See also

References

External links