44 relations: Abalone (molecular mechanics), Aqua (user interface), C (programming language), C++, Comparison of software for molecular mechanics modeling, Compiler, Cross-platform, Debye–Waller factor, Executable, FreeGLUT, Gabedit, IA-32, Linux, List of molecular graphics systems, MacOS, Macromolecule, Microsoft Windows, Molden, Molecular modelling, Molecule, Molekel, Open-source model, Open-source software, OpenGL Extension Wrangler Library, Poisson–Boltzmann equation, Protein, PyQt, Python (programming language), Python License, QuteMol, RasMol, SAMSON, Schrödinger (company), Software, Source code, SourceForge, Structural biology, TEV protease, Tk (software), Unix, Warren Lyford DeLano, Widget (GUI), Windows API, X86-64.
Abalone is a general purpose molecular dynamics and molecular graphics program for simulations of bio-molecules in a periodic boundary conditions in explicit (flexible SPC water model) or in implicit water models.
Aqua is the graphical user interface (GUI) and visual theme of Apple's macOS operating system.
C (as in the letter ''c'') is a general-purpose, imperative computer programming language, supporting structured programming, lexical variable scope and recursion, while a static type system prevents many unintended operations.
C++ ("see plus plus") is a general-purpose programming language.
This is a list of computer programs that are predominantly used for molecular mechanics calculations.
A compiler is computer software that transforms computer code written in one programming language (the source language) into another programming language (the target language).
In computing, cross-platform software (also multi-platform software or platform-independent software) is computer software that is implemented on multiple computing platforms.
The Debye–Waller factor (DWF), named after Peter Debye and Ivar Waller, is used in condensed matter physics to describe the attenuation of x-ray scattering or coherent neutron scattering caused by thermal motion.
In computing, executable code or an executable file or executable program, sometimes simply referred to as an executable or binary, causes a computer "to perform indicated tasks according to encoded instructions," as opposed to a data file that must be parsed by a program to be meaningful.
FreeGLUT is an open source alternative to the OpenGL Utility Toolkit (GLUT) library.
Gabedit is a Graphical User Interface to GAMESS (US), Gaussian, MOLCAS, MOLPRO, MPQC, OpenMopac, PC GAMESS, Orca and Q-Chem computational chemistry packages.
IA-32 (short for "Intel Architecture, 32-bit", sometimes also called i386) is the 32-bit version of the x86 instruction set architecture, first implemented in the Intel 80386 microprocessors in 1985.
Linux is a family of free and open-source software operating systems built around the Linux kernel.
This is a list of software systems that are used for visualizing macromolecules.
macOS (previously and later) is a series of graphical operating systems developed and marketed by Apple Inc. since 2001.
A macromolecule is a very large molecule, such as protein, commonly created by the polymerization of smaller subunits (monomers).
Microsoft Windows is a group of several graphical operating system families, all of which are developed, marketed, and sold by Microsoft.
Molden is a general molecular and electronic structure processing program.
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.
A molecule is an electrically neutral group of two or more atoms held together by chemical bonds.
Molekel is a free software multiplatform molecular visualization program.
The open-source model is a decentralized software-development model that encourages open collaboration.
Open-source software (OSS) is a type of computer software whose source code is released under a license in which the copyright holder grants users the rights to study, change, and distribute the software to anyone and for any purpose.
The OpenGL Extension Wrangler Library (GLEW) is a cross-platform C/C++ library that helps in querying and loading OpenGL extensions.
The Poisson–Boltzmann equation is a useful equation in many settings, whether it be to understand physiological interfaces, polymer science, electron interactions in a semiconductor, or more.
Proteins are large biomolecules, or macromolecules, consisting of one or more long chains of amino acid residues.
PyQt is a Python binding of the cross-platform GUI toolkit Qt, implemented as a Python plug-in.
Python is an interpreted high-level programming language for general-purpose programming.
The Python License is a deprecated computer software license created by the Corporation for National Research Initiatives (CNRI).
QuteMol is an open source, interactive, molecular visualization system.
RasMol is a computer program written for molecular graphics visualization intended and used mainly to depict and explore biological macromolecule structures, such as those found in the Protein Data Bank.
SAMSON (Software for Adaptive Modeling and Simulation Of Nanosystems) is a computer software platform for computational nanoscience being developed by the NANO-D group at the French Institute for Research in Computer Science and Automation (INRIA).
Schrödinger, LLC is an American software company that develops chemical simulation software for use in pharmaceutical, biotechnology, and materials science research.
Computer software, or simply software, is a generic term that refers to a collection of data or computer instructions that tell the computer how to work, in contrast to the physical hardware from which the system is built, that actually performs the work.
In computing, source code is any collection of code, possibly with comments, written using a human-readable programming language, usually as plain text.
SourceForge is a Web-based service that offers software developers a centralized online location to control and manage free and open-source software projects.
Structural biology is a branch of molecular biology, biochemistry, and biophysics concerned with the molecular structure of biological macromolecules (especially proteins, made up of amino acids, and RNA or DNA, made up of nucleic acids), how they acquire the structures they have, and how alterations in their structures affect their function.
TEV protease (Tobacco Etch Virus nuclear-inclusion-a endopeptidase) is a highly sequence-specific cysteine protease from Tobacco Etch Virus (TEV).
Tk is a free and open-source, cross-platform widget toolkit that provides a library of basic elements of GUI widgets for building a graphical user interface (GUI) in many programming languages.
Unix (trademarked as UNIX) is a family of multitasking, multiuser computer operating systems that derive from the original AT&T Unix, development starting in the 1970s at the Bell Labs research center by Ken Thompson, Dennis Ritchie, and others.
Warren Lyford DeLano (June 21, 1972 – November 3, 2009) was an advocate for the increased adoption of open source practices in the sciences, and especially drug discovery, where advances which save time and resources can also potentially save lives.
A control element (sometimes called a control or widget) in a graphical user interface is an element of interaction, such as a button or a scroll bar.
The Windows API, informally WinAPI, is Microsoft's core set of application programming interfaces (APIs) available in the Microsoft Windows operating systems.
x86-64 (also known as x64, x86_64, AMD64 and Intel 64) is the 64-bit version of the x86 instruction set.