Predicting Molecular Geometry

Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...

Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...

Open3DGRID is an application designed for high-throughput generation of molecular interaction fields or MIFs. Open3DGRID can generate steric potential, electron density and MM / QM electrostatic potential fields; furthermore, it can import GRIDKONT binary files produced by GRID and CoMFA / CoMSIA...


Platforms: Windows

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...


Platforms: Mac

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...


Platforms: Windows

Open3DALIGN is an open-source software aimed at unsupervised molecular alignment. Open3DALIGN is a command-line tool which is operated by means of a few commands which can be entered interactively from a command prompt, read from a batch script or piped through standard input. If PyMOL is...


Platforms: Linux

JGEX, which is actually short for Java Geometry Expert is an ongoing developing system. JGEX is a useful system that is able to combine an approach for visually dynamic presentation of proofs (VDDP), dynamic geometry software (DGS) and automated geometry theorem prover (GTP) .


Platforms: Windows

PaDEL-Descriptor is a handy utility designed to perform molecular calculation. It calculates 797 descriptors (663 1D, 2D descriptors and 134 3D descriptors) and 10 types of fingerprints.


Platforms: Windows

xyz2eps is a simple, accessible and handy utility designed in the Python programming language that can print xyz-geometry to the eps file format. This is done through the Command Line Interface. Now you can print the eps files you want in no time at all.


Platforms: Windows

rattleCAD is an easy to use graphical application that will help you design a bicycles geometry and derive drawings from configuration.


Platforms: Windows

SAGGLibEngine was designed based on the Anti-Grain Geometry library and aims to provide a simple interface for developers, such as pen, font, brush, DrawText, Ellipse,etc. The library is developped based on common language extension (CLE). Therefore it can be called from c/c++, java, php,...


Platforms: Windows, Windows Vista, 7, 7x64

Free math lessons and math homework help from basic math to algebra, geometry. The classic puzzle, a favorite of programmers and Buddhist monks. Puzzle index for geometry puzzles, logic puzzles, math puzzles, weight puzzles, moves puzzles and puzzles. You can sort the puzzle list by clicking The...


Platforms: All

GeoGebra is free and multi-platform dynamic mathematics software for all levels of education that joins geometry, algebra, tables, graphing, statistics and calculus in one easy-to-use package. Features includes Graphics, algebra and tables are connected and fully dynamic, Easy-to-use interface,...


Platforms: Mac

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded...


Platforms: Mac, Linux

GeoGebra is free and multi-platform dynamic mathematics software for all levels of education that joins geometry, algebra, tables, graphing, statistics and calculus in one easy-to-use package. Features includes Graphics, algebra and tables are connected and fully dynamic, Easy-to-use interface,...


Platforms: Windows

The BRL-CAD package is a powerful Constructive Solid Geometry (CSG) solid modeling system with over 20 years development and production use by the U.S. military. BRL-CAD includes an interactive geometry editor, parallel ray-tracing support for rendering and geometric analysis, path-tracing for...


Platforms: *nix, C/C++, BSD Solaris

This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies.


Platforms: Matlab

This is set of functions that allow opening of Molecular Imaging atomic force microscope files into Matlab matrix. Unzip the files in one directory and type in Matlab command prompt:y=ReadSTP('pathfilename.stp',buffer number).Matrix y will contain z values of measured surface. Comments will show...


Platforms: Matlab

Interactive software for creating and solving problems in 3D geometry. Draw and measure segments and angles, measure areas and volumes, transform, cut and join figures. Can be used and distributed free of charge.


Platforms: Mac

Path-O-Gen is a tool for investigating the temporal signal and 'clocklikeness' of molecular phylogenies. It can read and analyse contemporaneous trees (where all sequences have been collected at the same time) and dated-tip trees (where sequences have been collected at different dates). It is...


Platforms: Mac