Re: [Jmol-developers] dot surfaces ... vanderwaals and connolly

[Miguel <mt...@mt...>]

> I'll compile it in a moment...
In order to view the vdw dot surface you need to use the script window:
 File -> Script
 dots on
 dots off
 color dots blue
 color dots none
 select carbon
 dots on

as an example

> Those surfaces or often used to plot the charge density on... and this
> is how  chemistry students are thought what molecules look like... it
> thus serves a  big educational need... and educational website often
> make use of applets...
True, no doubt.

> In addition, these feature show the Jmol website visitors what Jmol can
> do,  and interest people in working with the Jmol code base itself...
> Keep in mind  that since you can do molecular surfaces now, other types
> of surfaces can be done too...
Well, we are still a few steps away from rendering a complete *surface*.
Currently this is a dot surface ... just dots which define the surface.
There is more work to be done to turn it into a complete iso-surface.


> I suggest you send a screenshot to
> jmol-users@ and -developers@ and ask what interest people have rendering
> of molecular and other surfaces...
Never sent a screenshot from linux ... guess I can try :)


> Obviously, enzyme strands etc can now be done too more easily I
> expect... Is  that right?
I think so.
The vdw dots seemed easier to implement, so I did that first.
On the subject of the ribbons, I am still trying to figure out:
 - the math for where to place the control points
 - how to do a hermite cubic curve to interpolate between
   the control points
 - what representation to use to make it small & fast


>
> About you other question on how large the probe atom should be... making
> it  customizable later should not be that big a problem, and people will
> ask  about it if they really need it, so a fixed 1.2 Angstrom is fine
> with me...
OK


Miguel