AMBER Archive (2005)

Subject: Re: AMBER: recent Chimera MD enhancements

From: Eric Pettersen (pett_at_cgl.ucsf.edu)
Date: Tue Nov 15 2005 - 15:09:21 CST


Oops, forgot to mention that if you choose to download Chimera, you
should get version 1.2186 since it contains a slight bug fix for the
trajectory-recording feature.

--Eric

On Nov 15, 2005, at 12:59 PM, Eric Pettersen wrote:

> Hi,
> I thought people here on the list might be interested in some
> recent improvements in Chimera's MD capabilities. The most recent
> release offers a simplified interface for recording trajectory
> movies, the ability to compute and display the occupancy of certain
> atoms relative to others (e.g. solvent in a binding site), and much
> faster computation of the all-by-all RMSD map than in previous
> releases. Also, some people may not be aware of the previously-
> available "hold steady" feature wherein any part of a structure can
> be held as steady as possible as a trajectory is played -- which
> can be particularly useful when viewing a replica-exchange trajectory.
> You can find full documentation for the MD features here: http://
> www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/movie/
> framemovie.html
> There is a tutorial here: http://www.cgl.ucsf.edu/chimera/docs/
> UsersGuide/tutorials/ensembles2.html
>
> The main page for Chimera is here: http://www.cgl.ucsf.edu/chimera
>
> --Eric
>
>
> Eric Pettersen
> UCSF Computer Graphics Lab
> pett_at_cgl.ucsf.edu
> http://www.cgl.ucsf.edu
>
>

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