MagiC: Software Package for Multiscale Modeling

Prodock: Software package for protein modeling and docking

A new software package, PRODOCK, for protein modeling and flexible docking is presented. The protein system is described in internal coordinates with an arbitrary level of flexiblity for the proteins or ligands. The protein is represented by an all-atom model with the ECEPPr3 or AMBER IV force field, depending on whether the ligand is a peptidic molecule or not. PRODOCK is based on a new residu...

ModEco: an integrated software package for ecological niche modeling

ModEco is a software package for ecological niche modeling. It integrates a range of niche modeling methods within a geographical information system. ModEco provides a user friendly platform that enables users to explore, analyze, and model species distribution data with relative ease. ModEco has several unique features: 1) it deals with different types of ecological observation data, such as p...

An Internet-Accessible Software Package for Modeling Viscoelastic Flow

The focus of our research and development is the creation of a web-based C++ software package that numerically models viscoelastic flow in polymer processing. In order to design software that best satisfies the needs of fiber and film process modelers in industry and academia, the following capabilities must be included: (1) multi-scale simulation, from molecular through continuum levels, takin...

A Multiphysics and Multiscale Software Environment for Modeling Astrophysical Systems

We present MUSE, a software framework for combining existing computational tools for different astrophysical domains into a single multiphysics, multiscale application. MUSE facilitates the coupling of existing codes written in different languages by providing inter-language tools and by specifying an interface between each module and the framework that represents a balance between generality a...

Multiscale Bootstrap Using Scaleboot Package