[MMTK] Fwd: CCL: ANNOUNCE: Release of AmberTools, version 1.0

Konrad Hinsen hinsen at cnrs-orleans.fr
Thu Apr 3 07:49:46 UTC 2008


Here is an announcement that could be of interest to MMTK users:  
parts of the AMBER suite have been released separately as Open Source  
programs.

Konrad.

Begin forwarded message:
> From: "David A. Case case[A]scripps.edu" <owner-chemistry at ccl.net>
> Date: 2. April 2008 18:49:20 GMT+02:00
> Subject: CCL: ANNOUNCE: Release of AmberTools, version 1.0
>
>
> We are proud to annouce the release of AmberTools.
>
> AmberTools consists of several independently developed packages  
> that work well
> by themselves, and with Amber itself. The suite can also be used to  
> carry
> out complete molecular mechanics investigations (using NAB), but  
> which are
> restricted to gas-phase or generalized Born solvent models.
>
> AmberTools currently consists of four main codes that were  
> previously released
> separately, and one new one:
>
>    nucleic acid builder (NAB) 	http://www.scripps.edu/case/nab.html
>    antechamber 	http://amber.scripps.edu/antechamber
>    ptraj 	http://www.chpc.utah.edu/~cheatham/software.html
>    tleap and xleap 	http://amber.scripps.edu
>    sleap 	New: replaces and expands tleap
>
> These programs may also be of interest outside the Amber community.  
> For
> example, antechamber can create CHARMM-formatted parameter files,  
> and ptraj
> can analyze CHARMM trajectories.
>
> We expect that AmberTools will be dynamic, and change and grow over  
> time. This
> initial release consists of programs that have previously been part  
> of Amber
> (including LEaP, antechamber and ptraj), along with NAB (Nucleic Acid
> Builder), which has been released separately. Each of these  
> packages (except
> for sleap) has been in use for a long time. They are certainly not  
> bug-free,
> but you should be able to rely upon them in many circumstances.  
> These are the
> latest releases of these programs, and collect in one place codes  
> that we have
> been distributing for some time.
>
> The programs here are mostly released under the GNU General Public  
> License
> (GPL). A few components are included that are in the public domain  
> or which
> have other, open-source, licenses. We hope to add new functionality to
> AmberTools as additional programs become available. If you have  
> suggestions
> for what might be added, please contact us.
>
> (CHARMM users might note that antechamber can prepare parameters in  
> CHARMM
> format, and ptraj can read and analyze CHARMM trajectories.)
>
> To obtain AmberTools, go to:    http://ambermd.org/#AmberTools
>
> ...dave case (for the Amber development team)
>



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