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QuteMol
QuteMol is an open-source, interactive, molecular visualization system. QuteMol utilizes the current capabilities of modern GPUs through OpenGL shaders 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 * 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 input. See also * Molecular graphics * Molecular modeling on GPU * 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 b ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 project in particular objects to their works being referred to as open-source. For more information about the philosophical background for open-source software, see free software movement and Open Source Initiative. However, nearly all software meeting the Free Software Definition also meets ''the Open Source Definition'' and vice versa. A small fraction of the software that meets either definition is listed here. Some of the open-source applications are also the basis of commercial products, shown in the List of commercial open-source applications and services. Artificial intelligence General AI *OpenCog – A project that aims to build an artificial general intelligence (AGI) Software framework, framework. OpenCog Prime is a specific ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Istituto Di Scienza E Tecnologie Dell'Informazione
The "Alessandro Faedo" Istituto di Scienza e Tecnologie dell'Informazione (''Institute of Information Science and Technologies'') is an institute of the Italian National Research Council (CNR). The institute is located in the CNR research area in the Ghezzano Province of Pisa about 5 km from San Giuliano Terme. The institute was founded in 2002 as a merge of two previous CNR institutes: Istituto CNUCE and Istituto di Elaborazione dell’Informazione (IEI). The institute is named in honor of Alessandro Faedo, former President of CNR and former rector of the University of Pisa, for his important contributions to the development of Computer Science in Italy. The mission of the institute is ''producing scientific excellence and playing an active role in technology transfer'' in the field of Computer Science. In 2022 the research staff of the institute counts more than 120 researchers and a total staff (including PhD students and fellows) of around 230. Since 1 April 2019 the ISTI ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Nanorobotics
Nanoid robotics, or for short, nanorobotics or nanobotics, is an emerging technology field creating machines or robots whose components are at or near the scale of a nanometer (10−9 meters). More specifically, nanorobotics (as opposed to microrobotics) refers to the nanotechnology engineering discipline of designing and building nanorobots with devices ranging in size from 0.1 to 10 micrometres and constructed of nanoscale or molecular components. The terms ''nanobot'', ''nanoid'', ''nanite'', ''nanomachine'' and ''nanomite'' have also been used to describe such devices currently under research and development. Nanomachines are largely in the research and development phase, but some primitive molecular machines and nanomotors have been tested. An example is a sensor having a switch approximately 1.5 nanometers across, able to count specific molecules in the chemical sample. The first useful applications of nanomachines may be in nanomedicine. For example, biological machi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free 3D Graphics Software
Free may refer to: Concept * Freedom, having the ability to do something, without having to obey anyone/anything * Freethought, a position that beliefs should be formed only on the basis of logic, reason, and empiricism * Emancipate, to procure political rights, as for a disenfranchised group * Free will, control exercised by rational agents over their actions and decisions * Free of charge, also known as gratis. See Gratis vs libre. Computing * Free (programming), a function that releases dynamically allocated memory for reuse * Free format, a file format which can be used without restrictions * Free software, software usable and distributable with few restrictions and no payment * Freeware, a broader class of software available at no cost Mathematics * Free object ** Free abelian group ** Free algebra ** Free group ** Free module ** Free semigroup * Free variable People * Free (surname) * Free (rapper) (born 1968), or Free Marie, American rapper and media personality ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemistry Software For Linux
Chemistry is the scientific study of the properties and behavior of matter. It is a natural science that covers the elements that make up matter to the compounds made of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances. Chemistry also addresses the nature of chemical bonds in chemical compounds. In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central science because it provides a foundation for understanding both basic and applied scientific disciplines at a fundamental level. For example, chemistry explains aspects of plant growth (botany), the formation of igneous rocks (geology), how atmospheric ozone is formed and how environmental pollutants are degraded (ecology), the properties of the soil on the moon (cosmochemistry), how medications work (pharmacology), and how to collect DNA evidence a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Free Science Software
Free may refer to: Concept * Freedom, having the ability to do something, without having to obey anyone/anything * Freethought, a position that beliefs should be formed only on the basis of logic, reason, and empiricism * Emancipate, to procure political rights, as for a disenfranchised group * Free will, control exercised by rational agents over their actions and decisions * Free of charge, also known as gratis. See Gratis vs libre. Computing * Free (programming), a function that releases dynamically allocated memory for reuse * Free format, a file format which can be used without restrictions * Free software, software usable and distributable with few restrictions and no payment * Freeware, a broader class of software available at no cost Mathematics * Free object ** Free abelian group ** Free algebra ** Free group ** Free module ** Free semigroup * Free variable People * Free (surname) * Free (rapper) (born 1968), or Free Marie, American rapper and media pers ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Modelling Software
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 biochemistry, the distinction from ions is dropped and ''molecule'' is often used when referring to polyatomic ions. A molecule may be homonuclear, that is, it consists of atoms of one chemical element, e.g. two atoms in the oxygen molecule (O2); or it may be heteronuclear, a chemical compound composed of more than one element, e.g. water (two hydrogen atoms and one oxygen atom; H2O). In the kinetic theory of gases, the term ''molecule'' is often used for any gaseous particle regardless of its composition. This relaxes the requirement that a molecule contains two or more atoms, since the noble gases are individual atoms. Atoms and complexes connected by non-covalent interactions, such as hydrogen bonds or ionic bonds, are typically not considere ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 calculations. These cards include many arithmetic units (, up to 3,584 in Tesla P100) working in parallel. Long before this event, the computational power of video cards was purely used to accelerate graphics calculations. What was new is that NVIDIA made it possible to develop parallel programs in a high-level application programming interface (API) named CUDA. This technology substantially simplified programming by enabling programs to be written in C (programming language), C/C++. More recently, OpenCL allows cross-platform GPU acceleration. Quantum chemistry calculations and molecular mechanics simulations (molecular modeling in terms of classical mechanics) are among beneficial applications of this technology. The video cards can accelerat ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 Kekulé's benzene, there has been a rich history of hand-drawn atoms and molecules, and these representations have had an important influence on modern molecular graphics. Colour molecular graphics are often used on chemistry journal covers artistically. History Prior to the use of computer graphics in representing molecular structure, Robert Corey and Linus Pauling developed a system for representing atoms or groups of atoms from hard wood on a scale of 1 inch = 1 angstrom connected by a clamping device to maintain the molecular configuration. These early models also established the CPK coloring scheme that is still used today to differentiate the different types of atoms in molecular models (e.g. carbon = black, oxygen = red, nitrogen = blue ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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, cryo-electron microscopy, and submitted by biologists and biochemists from around the world, are freely accessible on the Internet via the websites of its member organisations (PDBe, PDBj, RCSB, and BMRB). The PDB is overseen by an organization called the Worldwide Protein Data Bank, wwPDB. The PDB is a key in areas of structural biology, such as structural genomics. Most major scientific journals and some funding agencies now require scientists to submit their structure data to the PDB. Many other databases use protein structures deposited in the PDB. For example, SCOP and CATH classify protein structures, while PDBsum provides a graphic overview of PDB entries using information from other sources, such as Gene ontology. History Two force ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Space-filling Model
In chemistry, a space-filling model, also known as a ''calotte model'', is a type of three-dimensional (3D) molecular model where the atoms are represented by spheres whose radii are proportional to the radii of the atoms and whose center-to-center distances are proportional to the distances between the atomic nuclei, all in the same scale. Atoms of different chemical elements are usually represented by spheres of different colors. Space-filling calotte models are also referred to as CPK models after the chemists Robert Corey, Linus Pauling, and Walter Koltun, who over a span of time developed the modeling concept into a useful form. They are distinguished from other 3D representations, such as the ball-and-stick and skeletal models, by the use of the "full size" space-filling spheres for the atoms. The models are tactile and manually rotatable. They are useful for visualizing the effective shape and relative dimensions of a molecule, and (because of the rotatability) the s ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 (and hence darker) than the exposed outer surfaces, and becomes darker the deeper inside the tube one goes. Ambient occlusion can be seen as an accessibility value that is calculated for each surface point. In scenes with open sky, this is done by estimating the amount of visible sky for each point, while in indoor environments, only objects within a certain radius are taken into account and the walls are assumed to be the origin of the ambient light. The result is a diffuse, non-directional shading effect that casts no clear shadows, but that darkens enclosed and sheltered areas and can affect the rendered image's overall tone. It is often used as a post-processing effect. Unlike local methods such as Phong shading, ambient occlusion i ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
