[Chimera-users] changing map dimensions

[Elaine Meng]

On Apr 30, 2012, at 6:56 PM, Yuhong Li wrote:

> Hi Elaine,
> Thanks for your help, now I've understood what those numbers mean. But I was wondering if you could tell me how I can change those gird points, such as change 88 66 94 to 94 94 94 or any cubic numbers ? 
> Best Wishes,
> Yuhong Lee
> 

Hi Yuhong,
Please send Chimera questions to chimera-users at cgl.ucsf.edu instead of directly to me.

Those numbers are the size of your input data file, so I'm not sure what you mean.  You can't just change the numbers arbitrarily.

It is possible to make a new data set by cutting off part of the original data set.  One way to do that is to use the "volume" command to save a new map file, using the "saveSubregion" option to include only part of the original map.  
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/volume.html#output>

However, it sounds like you want to make a new data set that is bigger than your original map.  There is a "vop cover" command that will make a bigger map, but it assumes periodicity of the input map. 
<http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/vop.html#cover> 

If instead you wanted values of zero at the additional grid points, however, I don't know how to do that -- maybe the others have ideas.
Elaine
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Elaine C. Meng, Ph.D. 
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco