Search Results for "c programming framework"
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Showing 22 open source projects for "c programming framework"
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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DIANNA
software for DFA method
...How to use: 1. Unzip the archive. 2. Run the "Dianna_Startup.exe" file. 3. Use "Help" through the menu. Required: • Windows 7 or newer • Microsoft .NET Framework 4: www.microsoft.com/en-US/download/details.aspx?id=17851 (Web Installer, 1 Mb) www.microsoft.com/en-us/download/details.aspx?id=17718 (Standalone Installer, 48 Mb) • Microsoft Visual C+ -
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Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
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CueMol
CueMol - Molecular Visualization Framework
CueMol - Molecular Visualization Framework based on OpenGL, Mozilla XULRunner, and javascript -
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ElemenTable - Periodic Table
Simple colored and interactive Periodic Table of Elements
ElemenTable is a colorful periodic table of elements application for Windows (requires .NET Framework v.4.5 or higher). It gives many important information, e.g. atomic mass or electronegativity, about all current chemical elements from Hydrogen [1] to Oganesson [118]. All elements are ordered in a colorful periodic table layout which can be changed in color to show either the element groups, the element states or the element types. The data of the chemical elements is hosted at... -
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chemfiles
Modern library for chemistry file reading and writing
Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with... -
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Periodic Table of Elements
Periodic Table of Elements a quick reference tool
Periodic Table of Elements is a quick reference tool that allows you a quick glance to get general information about an element. The program is for educational purposes. -
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Magneto
Magneto is a wxWidgets based viewer for NMR spectra.
Magneto is a viewer for NMR spectra which is intended to be convenient for applied NMR users such as organic chemists. All free software for viewing NMR spectra I found on the internet did not satisfy, therefore I decided to spend some time writing an open source viewer. The program is based on wxWidgets, an excellent open source framework which allows to design truly cross platform applications. The program is supposed to be portable to different OS, especially Linux and Windows. -
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Bohr Model Generator
Generates highly configurable bohr models
Generates highly configurable bohr models in any resolution for all elements. You can export all bohr models as a specific format in a click of a button. Requires .NET Framework 4.5 -
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Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
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A framework to support scientific experiments: acquiring, visualizing, analyzing, and managing experimental data. Initially developed to support the experimental process on two beamlines at the Canadian Light Source synchrotron (lightsource.ca).
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FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
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Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.
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CDL provides a generic C++ framework to write algorithms for the calculation of molecular descriptors. CDL provides efficient substructure search, fingerprints and pharmacophore algorithms, and many more for the calculation molecular descriptors.
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4-Dimensional Cell Simulator (4DiCeS) is a framework on hybrid (stochastic and deterministic) modeling and simulation of (whole) cell environments in 4D. The framework may incorporate any reaction and diffusion algorithms applicable in a 4D grid layout.
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Structlab is a machine learning C++ framework for structured domains, which provides a toolbox of learning methods and tools for preprocessing and visualization. It also provides a GUI to setup elaborate experiments in a visual and intuitive way.
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This project was inspired existing cheminformatics APIs such as the CDK, Marvin, and Frowns. The goal of the project is to produce a full featured cheminfo api for the .Net framework. Early stage dev will focus on data structures and classes for file io.
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LSG is a Windows application framework designed for visual data integration and based on Microsoft .NET 2.0 and CAB. An admin utility manages LSG apps, modules, events, and services, and a client integrates the modules and provides functionality hooks.
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REMD toolkit is designed as a C++ framework to build a replica-exchange molecular dynamics (REMD) program, suitable for solving the multiple-minima problem that prevents accurate estimation of thermodynamical properties.
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