> On Tue, May 26, 2009 at 6:10 PM, Nick Greeves <[email protected]> > wrote: > Thanks Bob, I am trying with PDB but I'm not clear how to specify > "residues". I liked the
Nick, apart from specfying aton numbers as Bob says, the other solution is that you insert residue "names" in the pdb fle. You usually have to give them too a unique residue number so they are recognized as separate residues. Do you have a sample file? On the other hand, we must find out if the "substructure" command is not working. You have another choice: to use the "connected" syntax to build specifications for some residues, but I don't think that will help you in separating one from the next. ------------------------------------------------------------------------------ Register Now for Creativity and Technology (CaT), June 3rd, NYC. CaT is a gathering of tech-side developers & brand creativity professionals. Meet the minds behind Google Creative Lab, Visual Complexity, Processing, & iPhoneDevCamp as they present alongside digital heavyweights like Barbarian Group, R/GA, & Big Spaceship. http://p.sf.net/sfu/creativitycat-com _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
