Christian Baerlocher wrote: >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's an interesting challenge.
>- it seems that the stereo blue/red etc. do not work anymore. It is >okay for side-by-side. > > > oops.... fixed. >- 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... > > > no, I don't think so. The two colors have to be the same. >By the way, the response from a seleted group of zeolite people (the >"Structure Commission") was indeed very enthusiastic about this new >tool. > > > great. >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 > > ------------------------------------------------------------------------- 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
