[Chimera-users] locating models in maps by unit cell transformations

[Elaine Meng]

Hi Trevor,
I don't know whether this will meet your needs or not, but you could  
try using Unit Cell (under Tools... Higher-Order Structure):
http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/unitcell/ 
unitcell.html

It will generate additional copies using MTRIX, SMTRY and/or CRYST1  
matrices. I am hoping the refmac map will go along with one of those  
copies, but a disadvantage of the approach is that you will have the  
other copies too (could tax the system depending on number/size).   
The extras could be removed after you get the copy you want, however.

I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.                          meng at cgl.ucsf.edu
UCSF Computer Graphics Lab and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
                      http://www.cgl.ucsf.edu/home/meng/index.html




On Feb 4, 2008, at 6:36 AM, Trevor Sewell wrote:

> Hi,
>
> It often turns out that the atomic model you create in O needs to  
> be transformed by a crystallographic symmetry operation in order to  
> fit into the map created by refmac. In O this is no problem because  
> the map automatically covers the bit of model you put in the center  
> of your screen. However this does not seem to happen in Chimera. Is  
> there an easy way to make the map cover the model (i.e. without  
> working out what the transformation is and then creating a  
> transformed pdb file)?
>
> Many thanks
>
> Trevor