aargh! Yes -- ignore me!!!! Listen to Rolf.... I've just been working so
much with alternative locations recently!
On Fri, Nov 5, 2010 at 6:21 AM, Rolf Huehne <rhue...@fli-leibniz.de> wrote:
> 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
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
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
