[Chimera-users] Move atoms (selections) in Chimera
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
> 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
> including participants at a 2-day Chimera workshop that ended today.
> Eric will be evaluating the priority relative to other Chimera feature
> enhancements, and your input helps.
> Chimera-users mailing list
> Chimera-users at cgl.ucsf.edu
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