>> Second, since atoms have no individuality, >> and spheres of each element the same size and material, any sphere >> can >> be a macro. > > But atoms are individual, and each one of them can be made display > at different sizes and > colors. The Jmol exporter is reading each atom and rendering it in > VRML the same way it is > rendered in Jmol. Standard CPK size and color cannot be assumed to > be the case for all > atoms.
But looking at the VRML, every Sphere of a specific element is identical. Not knowing the code, I cannot say if this holds with every molecule, however. >> There is further capacity for optimisation by discretising cylinder >> joint lengths. >> If opaqueness is a condition, cylinders could be made in only a few >> sizes > > Which sizes? Bonds are of many lengths. Can't say, I haven't done a statistical analysis of cylinder lengths. Anyway, this (discretizing) possibility would depend on a given exactness. The more exact the result, the less optimisation. This doesn't apply to the second idea, however. If you can shove cylinders into spheres, without compromising the result (i.e. all is opaque) then different cylinder lengths can be had with only a few prototypes, and better optimisation than the first idea above. However, if you have transparent CPK then this looks ugly. > I guess that the vrml file could be manipulated in some software. > Then, what would happen > if e.g. the spheres were disabled? How would the molecule look like? > I think that currently it > will display correctly as sticks (must test this). Ah, I didn't think of this. OTOH, if the user knows she won't disable spheres, she could specify this somewhere in Jmol to get the optimisation described. Ralf Stephan http://www.ark.in-berlin.de pub 1024D/C5114CB2 2009-06-07 [expires: 2011-06-06] Key fingerprint = 76AE 0D21 C06C CBF9 24F8 7835 1809 DE97 C511 4CB2 ------------------------------------------------------------------------------ Enter the BlackBerry Developer Challenge This is your chance to win up to $100,000 in prizes! For a limited time, vendors submitting new applications to BlackBerry App World(TM) will have the opportunity to enter the BlackBerry Developer Challenge. See full prize details at: http://p.sf.net/sfu/Challenge _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
