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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 +++++++++++++++++++++++++++++++ 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 +++++++++++++++++++++++++++++++ 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