Dear Bob, I am sorry to bother you again. I (still) have three small comments/ questions
- CLO with central pocket: I could not get rid of it exept when I made a mistake and sent the command isosurface minset 2000 pocket 1.0 sasurface 0.2; i.e. without the keyword "cavity". Then it did not draw a the central pocket and made a nice "clover leave" channel. However, the other cages did then not look correct. - it seems that the stereo blue/red etc. do not work anymore. It is okay for side-by-side. - would it be possible for the surfaces to change not only the lighting between front and back but also the color? I know, I could mimic this by generating a second surface further in, but a simple command frontcolor/backcolor would of course be simpler... By the way, the response from a seleted group of zeolite people (the "Structure Commission") was indeed very enthusiastic about this new tool. Christian On Apr 18, 2007, at 5:40 PM, Bob Hanson wrote: > Ah, the central cavity! This is because, if you look VERY carefully, > there is a little bridge between the channel and that interior > piece. I > think if you tweak the parameters, you can break that bridge, and it > will not be part of the pocket subset. Maybe... > > Bob > > > > Christian Baerlocher wrote: > >> Dear Bob, >> >> Thanks again very much. It is really very very useful (and beautiful, >> of course). >> >> I have now implemented it in a test version with our database. >> Look at >> >> http://topaz.ethz.ch/IZA-SC/StdAtlasj.htm >> >> and select a 3 letter code from the matrix (LTA you know already, but >> try IMF or MOZ or whatever, they all look very nice) and click on >> Live 3D drawing. >> >> I found one small problem with -CLO. This has a very large cage, and >> it seems it generates a cavity in the center which should not be >> there. Is there a way to avoid it? I am not sure I understand fully >> the parameter after "cavity". >> >> Christian >> >> >> >> >> On Apr 18, 2007, at 8:48 AM, Bob Hanson wrote: >> >> >> >>> Glad to hear it, Christian. I saw the zeolite case as a nice >>> opportunity >>> to try a few new things. Interesting cavities and channels and >>> "pockets" >>> in there. The backlit/frontlit business will be quite useful. >>> This is >>> applicable to any sort of isosurface, but especially useful for >>> molecular/solvent surfaces. >>> >>> When Nico gets back from his travels he can update SourceForge. For >>> now >>> you can get JmolApplet.jar in >>> >>> http://www.stolaf.edu/academics/chemapps/jmol/docs/examples-11 >>> >>> (files should show up there within the hour; I'm doing some final >>> testing) >>> >>> Bob >>> >>> Christian Baerlocher wrote: ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
