sassie

Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.

Features

Monte Carlo configuration sampling of proteins
Modules to study intrinsically disordered proteins
Comparison of synthetic SAXS, SANS, EM, and neutron reflectivity to data
smol library for manipulation of structures
Incorporation of NMR & fluorescence constraints
Utilities to perform MD simulations using NAMD and CHARMM
Expandable framework for additional molecular problems and experiments
Expandable framework to study non-biological polymeric systems
Utilities to study disordered proteins at membrane surfaces

Project Samples

Example phi versus psi plot of sampled dihedral angles

Iso-density plot of entire ensemble and best fit structures

Project Activity

See All Activity >

License

GNU General Public License version 2.0 (GPLv2), Other License

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Additional Project Details

Operating Systems

Linux, Mac, Windows

Languages

English

Intended Audience

Science/Research

User Interface

Cocoa (MacOS X), Tk

Programming Language

C++, Objective-C 2.0, Python

Related Categories

Python Molecular Science Software, Python Simulation Software, Python Chemistry Software, C++ Molecular Science Software, C++ Simulation Software, C++ Chemistry Software, Objective-C 2.0 Molecular Science Software, Objective-C 2.0 Simulation Software, Objective-C 2.0 Chemistry Software

Registered

2009-12-10

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