Molecular Modelling

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: Mac

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

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

Art of Illusion is a free, open source 3D modelling and rendering studio. Many of its capabilities rival those found in commercial programs. Highlights include subdivision surface based modelling tools, skeleton based animation, and a graphical language for designing procedural textures and...


Platforms: Windows

Art of Illusion is a free, open source 3D modelling and rendering studio. Many of its capabilities rival those found in commercial programs. Highlights include subdivision surface based modelling tools, skeleton based animation, and a graphical language for designing procedural textures and...


Platforms: Mac

Art of Illusion is a free, open source 3D modelling and rendering studio. Many of its capabilities rival those found in commercial programs. Highlights include subdivision surface based modelling tools, skeleton based animation, and a graphical language for designing procedural textures and...


Platforms: Linux

Discover what database professionals have known for years -- that enterprise databases are designed with enterprise modelling tools. Why has this been a secret for so many? Why do so many labor with buckets full of error-prone undocumented SQL? Well, it seems no one has been able to pack the...


Platforms: Windows, Mac, Linux

trendingBot is a powerful numerical simulation tool bringing some fresh air into the computational modelling community. Its innovative algorithm (fully developed by our engineers) performs as-detailed-as-necessary calculations, reduces the number of simplifications and avoids the use of arbitrary...


Platforms: Windows

AppComplete is a modelling and prototyping tool from CapableObjects.com , contains a UML-class modeller, contains a UML-state machine modeller, lets you execute your model including the state machines, uses the standard OCL as constraint and query language, can reverse engineer existing...


Platforms: Windows

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

Event-B is a formal method for system-level modelling and analysis. Key features of Event-B are the use of set theory as a modelling notation, the use of refinement to represent systems at different abstraction levels and the use of mathematical proof to verify consistency between refinement...


Platforms: Windows, Mac, *nix, Java, BSD Solaris

Umbrello UML Modeller is a Unified Modelling Language diagram programme for KDE. UML allows you to create diagrams of software and other systems in a standard format. Our handbook gives a good introduction to Umbrello and UML modelling.


Platforms: *nix

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

WoPeD (Workflow Petri Net Designer) is an open-source software developed at the Cooperative State University Karlsruhe under the GNU Lesser General Public License (LGPL). The main goal of this tool is to provide an easy-to-use software tool for modelling, simulating and analyzing workflow process...


Platforms: Mac