On 11/04/2010 06:52 PM, Robert Hanson wrote: > On Thu, Nov 4, 2010 at 12:24 PM, Dr. Christoph Gille < > christoph.gi...@charite.de> wrote: >> Two questions: >> 1. How to specify pdb insertion codes in selections >> > > %x > > so, for example, > > select %A // just the "A" set > select % or %A // "unmarked" or "A" set -- a "configuration" > select *.ca%A > > Mostly these are useful in the sense of whole-model "configurations". > "configuration 1" is the model using first insertion code for a given > residue, whatever that might be for a given residue; "configuration 2" is > the second, etc. If you want to load just one configuration, you can use: > > load xxxx.pdb FILTER "conf 1" > > for example. This is a "safe" load for any PDB file, even if it contains no > insertion code information. It means you will have no atoms present except > those. > > You can also use: > > load xxxx.pdb FILTER "%A" > > This will load only the configuration involving alternative location A (and, > of course, the unmarked atoms as well), regardless the order of "A" among > the alternative locations for a given residue. > > The issue is that %A may apply to some residues, while %B may apply to > others, and in certain rare cases whole residues are "A" or "B". > Bob, didn't you mix up insertion codes and alternative locations here?
As far as I know insertion codes are named with a preceding '^' sign: "10^A:B" to select residue 10 with insertion code A of chain B Regards, Rolf ------------------------------------------------------------------------------ The Next 800 Companies to Lead America's Growth: New Video Whitepaper David G. Thomson, author of the best-selling book "Blueprint to a Billion" shares his insights and actions to help propel your business during the next growth cycle. Listen Now! http://p.sf.net/sfu/SAP-dev2dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
