Name | Modified | Size | Downloads / Week |
---|---|---|---|
AmberAnalysis-1.3.zip | 2017-09-14 | 209.4 kB | |
README | 2013-10-14 | 818 Bytes | |
AmberAnalysis-1.2.zip | 2013-10-14 | 244.2 kB | |
AmberAnalysis-1.1.zip | 2012-07-30 | 1.8 MB | |
AmberAnalysis-1.0.zip | 2012-04-21 | 9.4 MB | |
Totals: 5 Items | 11.6 MB | 0 |
The AmberAnalysis package provides command-line tools for profiling density, orientation, and hydrogen bonding in the output files from AMBER Molecular Dynamics simulations (http://www.ambermd.org/). You may also want to consider mdtraj, a python package which uses numpy (based on C) to load and manipulate molecular dynamics trajectories. http://rmcgibbo.github.io/mdtraj/ To install these programs, you will need two third-party libraries, which are availble for free: NetCDF and MatPlotLib. Instructions for installing these libraries and building AmberAnalysis are in the Makefile itself. This package is designed to be compiled on UNIX-like systems (e.g., Mac, Linux, Cygwin). It uses the fork() system call for parallel processing. The developer of this package was a student at Pacific University, Oregon.