QuteMol is an
open-source
Open source is source code that is made freely available for possible modification and redistribution. Products include permission to use the source code, design documents, or content of the product. The open-source model is a decentralized sof ...
, interactive, molecular visualization system.
QuteMol utilizes the current capabilities of modern
GPU
A graphics processing unit (GPU) is a specialized electronic circuit designed to manipulate and alter memory to accelerate the creation of images in a frame buffer intended for output to a display device. GPUs are used in embedded systems, mobil ...
s through
OpenGL
OpenGL (Open Graphics Library) is a cross-language, cross-platform application programming interface (API) for rendering 2D and 3D vector graphics. The API is typically used to interact with a graphics processing unit (GPU), to achieve hardwa ...
shader
In computer graphics, a shader is a computer program that calculates the appropriate levels of light, darkness, and color during the rendering of a 3D scene - a process known as ''shading''. Shaders have evolved to perform a variety of spec ...
s to offer an array of innovative visual effects. QuteMol visualization techniques are aimed at improving clarity and an easier understanding of the 3D shape and structure of large molecules or complex proteins.
* Real Time
ambient occlusion
In 3D computer graphics, modeling, and animation, ambient occlusion is a shading and rendering technique used to calculate how exposed each point in a scene is to ambient lighting. For example, the interior of a tube is typically more occluded ...
* Depth Aware Silhouette Enhancement
*
Ball and Sticks,
space-filling and Liquorice visualization modes
* High resolution antialiased snapshots for creating publication quality renderings
* Interactive rendering of large molecules and protein (100k atoms)
* Standard
Protein Data Bank
The Protein Data Bank (PDB) is a database for the three-dimensional structural data of large biological molecules, such as proteins and nucleic acids. The data, typically obtained by X-ray crystallography, NMR spectroscopy, or, increasingly, cry ...
input.
See also
*
Molecular graphics
Molecular graphics is the discipline and philosophy of studying molecules and their properties through graphical representation. IUPAC limits the definition to representations on a "graphical display device". Ever since Dalton's atoms and KekulĂ ...
*
Molecular modeling on GPU
Molecular modeling on GPU is the technique of using a graphics processing unit (GPU) for Molecular dynamics, molecular simulations.
In 2007, NVIDIA introduced video cards that could be used not only to show graphics but also for scientific calcul ...
*
List of free and open-source software packages
This is a list of free and open-source software packages, computer software licensed under free software licenses and open-source licenses. Software that fits the Free Software Definition may be more appropriately called free software; the GNU p ...
References
External links
*
{{Chemistry software
Molecular modelling software
Free science software
Chemistry software for Linux
Free 3D graphics software
Free software programmed in C++
Software that uses wxWidgets