Nico, this is a good start.
[EMAIL PROTECTED] wrote:
De: Bob Hanson <[EMAIL PROTECTED]>
Everything that may be useful to create the 3D scene. The following list may be
incomplete but it is a good start.
- all models or only one (depending on the selection of the user).
could be arranged.
- atoms: flag indicating if the atom is displayed, model number, coordinates,
size, color.
In the prototype I am working on I have designed an integer flag set:
+ public final static int VISIBLE_MODEL = 1;
+ public final static int VISIBLE_BALL = 2;
+ public final static int VISIBLE_STICK = 4;
+ public final static int VISIBLE_BACKBONE = 8;
+ public final static int VISIBLE_CARTOON = 16;
+ public final static int VISIBLE_STAR = 32;
+ public final static int VISIBLE_HALO = 64;
These could be read for atoms, as it is stored as Atom.visibleFlag for
each atom. Same for bonds -- Bond.visibleFlag
VISIBLE_MODEL: atom is a member of the visible set of models
VISIBLE_BALL: a sphere should be drawn
VISIBLE_STICK: a bond cylinder should be drawn to this atom
VISIBLE_BACKBONE: is one of the displayed backbone atoms
VISIBLE_CARTOON: is a base pair being displayed
VISIBLE_STAR: has a cross-hair star displayed
VISIBLE_HALO: has a selection halo displayed
- bonds: flag indicating if the bond is displayed, coordinates or atoms of end
points, model number, color(s), size, type of link (solid, dotted, ... or
simple/double/H/...)
VISIBLE_STICK: is a displayed bond
- traces: flag indicating if the trace is displayed, coordinates of atoms,
colors, sizes, ...
- backbones: flag, coordinates of atoms, colors, sizes, ...
- cartoons: flag, coordinates, colors, ...
> - other structures?
>
> - slab
> - axes
> - other ?
to do.
So this is only right now for atoms and bonds, but one could imagine
it being general to any "shape" including labels, axes, etc.
Questions:
1. If you had this much, could you start exporting what we have
already and see how the transfer works? I can modify as needed on
short order.
2. Is this a Java application, that could accept an actual object
reference to all this, or does it need a string-based interface?
3. Are you talking about an integrated Jmol component, so all you need
are the method references and you can go from there?
Bob
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
-------------------------------------------------------
This SF.Net email is sponsored by xPML, a groundbreaking scripting language
that extends applications into web and mobile media. Attend the live webcast
and join the prime developer group breaking into this new coding territory!
http://sel.as-us.falkag.net/sel?cmd=lnk&kid=110944&bid=241720&dat=121642
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
