md-utils

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Utilities to analyze molecular dynamics data

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Description

md-utils is a set of command line tools written in C designed to perform certain operations and analysis on the molecular dynamics data. The supported operations involve trajectory coordinate transformation to the COM system, Cartesian coordinate transformation to selected internal coordinates and to projected normal mode coordinates, trajectory merging, selecting subsets of trajectory frames, selecting subsets of atoms, permuting atoms, etc. Analysis tools involve 1D, 2D and 3D data binning (histograms), volumetric data handling, etc. A small library, libmd, is an abstraction layer that serves data exchange among different tools.

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Additional Project Details

Intended Audience

End Users/Desktop, Science/Research

User Interface

Command-line

Programming Language

C

Registered

2013-03-13
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