Collections of programs and tools.

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Program contents: Steel; Alloys; Aluminium Alloys; Polymers; Crystallography; Materials Data Library; General Kinetic Theory; Neural Networks; Composite Materials; Quantitative; M

This web is the home page of WAM - Web Antibody Modelling , the Centre for Protein Analysis and Design at the University of Bath's sophisticated online facility, based on the AbM p

Here are some key features of WebMO: Users draw structures in a 3D java editor, run calculations, and view results, all from their web browser; All administrative tasks (user

The SURFNET program generates surfaces and void regions between surfaces from coordinate data supplied in a PDB file. It can compute: van der Waals surfaces; Gaps between mole

This is the web site of the European Science Foundation (/) programme "Challenges in Molecular Simulations : Bridging the time-scale and length-scale gap" (SIMU) aims at

The Fast Atomic Density Evaluator (FADE) and Pairwise Atomic Density Reverse Engineering (PADRE) programs are designed to aid in the molecular modeling of proteins. 

Anyone, anywhere with access to a personal computer, could help find a cure for cancer by giving 'screensaver time' from their computers to the world's largest ever computational p

DynDom is a program that determines protein domains, hinge axes and amino acid residues involved in the hinge bending. It is fully automated. You can use DynDom if you hav

Pore-Cor Research Suite is the first package which interprets mercury intrusion and water retention curves using a three-dimensional, rather than two-dimensional network conve

Characteristic: dissipative interaction for rotating, rough, spherical particles; geometry elements: walls, cylinders, spheres, etc freely configurable; material properties of wall

The OSIRIS Property Explorer is an integral part of Actelion's inhouse substance registration system. It lets you draw chemical structures and calculates on-the-fly various drug-re

ORAC is a program for running classical simulations of biomolecules. Simulations can be carried out in the NVE, NPT, NHP, and NVT thermodynamic ensembles. The integration of the eq

OpenEye Scientific Software develops large-scale modeling applications and toolkits. Primarily geared towards drug discovery and design, areas of application include structure gene

NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-en

MOLPRO is a complete system of ab initio programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles, and containing contrib

MolPOV is a graphics file converter that reads Brookhaven Protein Data Bank format files and produces a ready-to-render input file for the Persistence of Vision ray tracer (POV-Ray

MidasPlus is an advanced molecular modeling system developed by the Computer Graphics Laboratory (CGL) at the University of California, San Francisco. The system is used daily in u