Hi Alisa, This is how I would do this.
1. In COOT got to Extensions --> Modelling --> Copy Fragment. In the dialog box that opens change Atom selection to //C/350-402 then hit OK. 2. To move the newly created fragment into position in B, go to Calculate --> LSQ Superpose. Change Reference Molecule to chain B of your original model and Moving Molecule to the newly created fragment (should be at the bottom of the list). Change the Residue Ranges from 350 to 377 then fit. 3. Merge the fragment into your model and save the merged PDB. Delete the extra residues (350-369) and use a text editor to change the chain ID of the new fragment to B. There might be some other cleanup you have to do but that should get you most of the way. -Donald ................................. Donald Damian Raymond, Ph.D. Postdoctoral Research Fellow Stephen C. Harrison Lab Harvard Medical School CLSB 3082 email: raym...@crystal.harvard.edu http://www.linkedin.com/in/donalddraymond/ On Jul 13, 2014, at 1:44 PM, Alisa Glukhova <alis...@umich.edu> wrote: > Hello everyone, > > I am trying to copy an NCS residue range from one NCS chain to another, but > not to all of them. I. e I would like to copy residues 377-402 from chain C > to chain B, without affecting chains A and D. > (I have already turned the chain C into the master chain through NCS ghost > control) > Since extensions in coot does that for all chains simultaneously I am trying > to use the Python or scheme commands. > > First of all, I am not sure I am using the right syntax, so please correct me > if I am wrong. > But here is what I have been writing for the Python command: > copy_residue_range_from_ncs_master_to_chains(0, "C", 377, 402,"B") > > But then coot quits with the message: > /usr/local/bin/coot: line 10: 34717 Segmentation fault: 11 > /Library/Coot/bin/coot-real "$@" > logout > > I would greatly appreciate your help! > Regards, > Alisa > -- > Alisa Glukhova > graduate student > Tesmer lab
