There are two things I want to do.  1) I want to save a partial molecule.  2) I want to do lsq alignment.  What do you do if the fragments have different chain id?  i.e. chain A 1-50, chain B 75-100.

Jianghai

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Jianghai Zhu, Ph.D
CBR Institute for Biomedical Research
Department of Pathology
Harvard Medical School
200 Longwood Ave., Boston, MA 02115
Ph: 617-278-3211
Fx: 618-278-3232
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On Jul 12, 2007, at 12:18 PM, Paul Emsley wrote:

On Thu, Jul 12, 2007 at 11:10:54AM -0400, Jianghai Zhu wrote:

How do I select a fragment of my molecule when there sequence numbers  
are not consecutive?  For example, I want to select residue 1-50,  
75-100, and 150-200 together.  Thanks.

Depends what you want to do with your fragment.  You can't refine or 
regularize such a multi-range fragment (yet).

Before trying it, I thought that if you wanted to create a 
molecule by atom selection (aka Copy Fragment), you could use:

(1-50,75-100,150-200)

But now I tried it, that doesn't seem to work. Baah.
I don't know if that is a feature or a bug.

The (mmdb) atom selection (as used in Coot) is described here;

http://www.ebi.ac.uk/~keb/cldoc/object/cl_obj_selfnc.html#CMMDBManager::Select_CID