On Wed, Aug 11, 2010 at 10:51 AM, Robert Hanson <[email protected]> wrote:
> > > On Tue, Aug 10, 2010 at 10:21 AM, Alexander Rose < > [email protected]> wrote: > >> Hi, >> >> before I forget it, this is also on my wishlist >> >> isosurface ID "foo" show CUTOFF x.xxx >> isosurface ID "foo" show SIGMA x.xx >> >> > > >> or with set? >> >> isosurface ID "foo" set SIGMA x.xx >> >> > I think you mean that you want to be able to set the cutoff or sigma value > on the fly. That's not going to happen. Jmol doesn't save the entire cube > file or map data -- and doesn't generally have the memory available to do > that. You will just need to reload the map for that. Easy enough to save a > couple of JVXL files for each sigma of interest if there are only a few and > it isn't a general file load. > > >> >> I really should start working on the jmol source myself... >> >> maybe an option to save the map data for re-use? > Alex >> >> >> ----- Ursprüngliche Mail ----- >> > Von: "Alexander Rose" <[email protected]> >> > An: [email protected] >> > Gesendet: Dienstag, 10. August 2010 15:53:10 >> > Betreff: Re: [Jmol-users] change the visible part of an isosurface >> without reloading >> > Hi, >> > >> > ----- Ursprüngliche Mail ----- >> > > Von: "Robert Hanson" <[email protected]> >> > > An: [email protected] >> > > Gesendet: Dienstag, 10. August 2010 14:48:50 >> > > Betreff: Re: [Jmol-users] change the visible part of an isosurface >> > > without reloading >> > > On Tue, Aug 10, 2010 at 7:33 AM, Alexander Rose < >> > > [email protected] > wrote: >> > > >> > > >> > > > Hi all, >> > > > >> > > > It seems though that the last command does not work on an existing >> > > > map: >> > > >> > > > isosurface ID "foo" within 2.0 {atomNo<100} # doesn't work >> > > >> > > >> > > >> > > That's right. The WITHIN option is only for map creation, not map >> > > display. >> > > >> > > It's certainly an interesting idea, though. Sort of a "hide selected >> > > triangles" option, I think. Hmm. We have: >> > > >> > > isosurface ID "foo" show >> > > isosurface ID "foo" hide >> > > >> > >> > isn't that at the moment: >> > >> > isosurface ID "foo" on >> > isosurface ID "foo" off >> > >> > isosurface ID "foo" hide # works >> > isosurface ID "foo" show # does not work >> > >> > >> > > maybe >> > > >> > > isosurface ID "foo" show within 2.0 {atomset} >> > > isosurface ID "foo" show all >> > > >> > > ? >> > >> > the syntax is fine, thou it would be nice if the command would also >> > accept points in addition to atomsets >> > >> > this then defines a new post-load 'within' syntax in addition to the >> > on-load within command. the question is, if it is necessary to >> > distinguish that much between them or if a unification would make it >> > clearer. hmm, one could expect the post-load 'within' to show parts he >> > hadn't loaded with the on-load 'within'. So, I think an extra command >> > is better, as you suggested. >> > >> > >> > Alex >> > >> > >> ------------------------------------------------------------------------------ >> > This SF.net email is sponsored by >> > >> > Make an app they can't live without >> > Enter the BlackBerry Developer Challenge >> > http://p.sf.net/sfu/RIM-dev2dev >> > _______________________________________________ >> > Jmol-users mailing list >> > [email protected] >> > https://lists.sourceforge.net/lists/listinfo/jmol-users >> >> >> ------------------------------------------------------------------------------ >> This SF.net email is sponsored by >> >> Make an app they can't live without >> Enter the BlackBerry Developer Challenge >> http://p.sf.net/sfu/RIM-dev2dev >> _______________________________________________ >> Jmol-users mailing list >> [email protected] >> https://lists.sourceforge.net/lists/listinfo/jmol-users >> > > > > -- > 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 > -- 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
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