Search Results for "graphical programs"

Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other...

"Information is data in action", and, consequently, having good quality data is essential. The AESTEL package contains two highly configurable applications for data management: A data loader and a reporting application, i.e. DataLoader and AEREA, respectively. The data loader application applies user-defined instructions to validate, process and load data. The reporting application provides a query builder and spreadsheet template designer. Both applications work with any relational data...

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.

This project is a small program using Qt for calculation and visualization of electron charge densities in crystals and molecules. It can create a 2D plane of charge densities or create a 1D representation of the charge densities along a given line, in both cases it can also export the graphical representations to various image formats. The program can import various file formats such as space 3D grids of charge density values, created in a quantum chemistry programs Gaussian, Crystal and VASP. Wave functions in the form of .wfn files are also supported and serve, not only to compute the charge densities, but also laplacian as the sum of second partial derivatives of charge density. ...

is a molecular viewer & model builder for quantum chemistry programs. It has an interface with NWChem, CP2K and PC GAMESS/Firefly quantum programs. http://www.biomolecular-modeling.com/Products.html

The MWDB2 project is a combination of cartographic data, associated programs and Java code. Data includes coastlines, islands, lakes rivers, country and state/province boundaries. Data & code can be used on both Intel and non-Intel based computers.

This project provides a java implementation of the Captcha project ( see http://www.captcha.net ). A CAPTCHA is a program that can generate and grade tests that: -Most humans can pass. -Current computer programs can't pass.

Vimes: Visual interface to materials simulations - An open source, python/Open GL interface to molecular and materials simulation programs

JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.

SYSTEM FOR DESIGNING AND SIMULATE CONCURRENT AND DISTRIBUTED PROGRAMS IN CLUSTER ARCHITECTURE Provides graphical interface for configuring relationships between cooperating, abstract processes and simulate it in real cluster environment, using MPI.

GardenSketch (previously iGarden) is a set of programs to aid in designing your garden or larger landscape project.

KAGEfx is a framework to load shader programs based on the OpenGL Shading Language contained within an XML file that holds descriptive metadata about the shader and to replace shader modules on the fly with respect to their level-of-detail metadata.

The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on https://jchempaint.github.io

The Generation5 Java Development Kit (JDK) enables users to create demonstration programs and applets for a wide variety of Artificial Intelligence and Artificial Life paradigms.