Molekel is a

free software Free software or libre software is computer software distributed under terms that allow users to run the software for any purpose as well as to study, change, and distribute it and any adapted versions. Free software is a matter of liberty, no ...

multiplatform

molecular A molecule is a group of two or more atoms held together by attractive forces known as chemical bonds; depending on context, the term may or may not include ions which satisfy this criterion. In quantum physics, organic chemistry, and bioche ...

visualization Visualization or visualisation may refer to: *Visualization (graphics), the physical or imagining creation of images, diagrams, or animations to communicate a message * Data visualization, the graphic representation of data * Information visualiz ...

program. It was originally developed at the

University of Geneva The University of Geneva (French: ''Université de Genève'') is a public research university located in Geneva, Switzerland. It was founded in 1559 by John Calvin as a theological seminary. It remained focused on theology until the 17th centu ...

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 Swiss may refer to: * the adjectival form of Switzerland *Swiss people Places *Swiss, Missouri *Swiss, North Carolina *Swiss, West Virginia *Swiss, Wisconsin Other uses *Swiss-system tournament, in various games and sports *Swiss International A ...

(CSCS) restarted the project and version 5.0 was released on 21 December 2006.Molekel About
Molekel uses

VTK The Visualization Toolkit (VTK) is an open-source software system for 3D computer graphics, image processing and scientific visualization.''Visualization Handbook'', Academic Press, 2005, Chapter 30: the Visualization Toolkit/ref> VTK is distrib ...

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 In geometry, the minimum or smallest bounding or enclosing box for a point set in dimensions is the box with the smallest measure (area, volume, or hypervolume in higher dimensions) within which all the points lie. When other kinds of measure ...

and

resolution Resolution(s) may refer to: Common meanings * Resolution (debate), the statement which is debated in policy debate * Resolution (law), a written motion adopted by a deliberative body * New Year's resolution, a commitment that an individual mak ...

) * Visualization of the following surfaces: :* orbitals :*

Isosurface An isosurface is a three-dimensional analog of an isoline. It is a surface that represents points of a constant value (e.g. pressure, temperature, velocity, density) within a volume of space; in other words, it is a level set of a continuous fu ...

from

electron density In quantum chemistry, 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 va ...

data :* Isosurface from

Gaussian Carl Friedrich Gauss (1777–1855) is the eponym of all of the topics listed below. There are over 100 topics all named after this German mathematician and scientist, all in the fields of mathematics, physics, and astronomy. The English eponymo ...

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 in the electronic publishing and desktop publishing realm. It is a dynamically typed, concatenative programming language. It was created at Adobe Systems by John Warnock, Charles Geschke, Doug Br ...

TIFF Tag Image File Format, abbreviated TIFF or TIF, is an image file format for storing raster graphics images, popular among graphic artists, the publishing industry, and photographers. TIFF is widely supported by scanning, faxing, word processin ...

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 {{Chemistry software

Major features

See also

References

External links