Dear All I am trying to cut out a subset of a protein structure. I am selecting an active site atom and expanding by residue with radius 12 Angstrom around that atom. Is there a way of doing the following: If the edge of the selection ends with a carbonyl of a peptide bond, keep it included. If the edge of the selection ends in a peptide nitrogen, extend the selection up to the carbonyl group and add it to the selection. Since the subset will consist of fragments of the peptide chain, a couple of seperate chains are generated. In doing so, every chain should start and end with carbonyls. The point is, this way there is less ambiguity in what direction "added" hydrogens point, than with terminal nitrogens. I am trying to accomplish this by issuing the 'neighbour' command, but i cant get the syntax right.
Thanks for any help on this. Martin ------------------------------------------------------------------------------ This SF.net Dev2Dev email is sponsored by: Show off your parallel programming skills. Enter the Intel(R) Threading Challenge 2010. http://p.sf.net/sfu/intel-thread-sfd _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
