This is a ActiveX/ATL component that shows molecular structures in 3D. It can read atomistic .pdb and .xyz file formats. This control is made very simple and flexible. It may be useful for chemists or other scientists to put molecular structures in presentations such as power point, with the a...

Tramonto is a molecular theory code that has been used in nanofluids applications in materials and biology. A variety of Fluids-Density Functional Theory methods are available in Tramonto. The integral equations of finite range that are prevalent in Fluids-DFT methods are solved using the parallel ...

An algorithm for approximating the volume of a compound object by keeping track of its members' positions in space. This project is part of [http://www.fudepan.org.ar FuDePAN].

Maintainable Simplex Purpose Molecular Simulator 2

FastGrid is a fork of AutoGrid, which computes grid maps of interaction energies for various atom types around a macromolecule. These grid maps are then used by AutoDock docking calculations to determine the total interaction energy for a ligand with a macromolecule. FastGrid is meant to be a rep...

This is a library to perform MD simulations on simple systems, like Lennard-Jones particles, small molecules or polymers. The emphasis is on exploring the theory of simulations (e.g., long-range interactions, polymer chain creation, Empirical Valance Bond methods, thermostats and barostats, QM/MM, i...

This is my Project under GSoC 2009. It is called the molecular Calculator. It is under Kalzium, an open source periodic table of elements software under KDE.

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=Sire= ==Molecular modelling package in early developmental stage== Sire has been in development for 4 years, and has had a small technology preview release. An alpha version of the code was used to run the QM/MM Monte Carlo simulations that are published in the Journal of Chemical Physics (ht...

BEAST, Bayesian Evolutionary Analysis Sampling Trees, is a cross-platform program for Bayesian MCMC analysis of molecular sequences. It is orientated towards (strict and relaxed) molecular clock analyses. It can be used as a method of constructing phylogenies, but it is also intended for testing evo...