[Chimera-users] Move atoms (selections) in Chimera

Eric Pettersen pett at cgl.ucsf.edu
Sun Nov 20 19:48:01 PST 2005

Yes, we have gotten a lot of requests for structure-building features, 
so we will put some effort into that in the near term.  Certainly the 
simple geometry-based features would come first, but even the more 
sophisticated force-field type features are becoming more feasible.  We 
already include MMTK under the hood in Chimera for its NetCDF 
trajectory-reading capabilities, and with some effort we could leverage 
its minimization features (most effort being getting charges onto atoms 
and getting Chimera's molecule data into and out of MMTK format).

One simple thing requested at the workshop was the ability to change a 
bond's length.  That's really easy and I'll be doing that first, so if 
anyone else would want that then let me know and I'll send you the code 
when it's ready.


On Nov 18, 2005, at 8:22 PM, Thomas Goddard wrote:

> Hi Dan,
>   Those are good specific suggestions.  Eric Pettersen is the most 
> likely
> Chimera developer to work on this.  I focus on Chimera tools for large
> molecular assemblies (viruses) and density maps.  Eric's to-do list is
> very long but many people have expressed interest in model building 
> tools
> including participants at a 2-day Chimera workshop that ended today.  
> So
> Eric will be evaluating the priority relative to other Chimera feature
> enhancements, and your input helps.
>   Thanks,
> 	Tom
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