Best method of representation of atoms in molecule viewer?

[Maneesh Yadav]

Hi all (thanks for all the responses to the dynamic visualization stuff)
I may end up putting my foot in my mouth later, but I think i have finally
zenned the most fundamental vtkisms...but I am left with a question.
What's the best way to represent the atoms of a molecule in such a way
that they can each be picked and moved?

That is,
I want balls representing atoms up on screen; but in order to make a true
molecular modelling package; these actors should be pickable and moveable;
and I should be able to move these changes in position back to my
underlying data representation.

As far as I understand; putting them in glyph represents them fine, but
doesn't represent each glyph component as an actor (yes?);  

things also work fine with using  a vtkDataSetMapper unstructured grid
whose components are the atom positions.

Trying to make an assembly composed of low resolution sphere actors works
fine for about 4000 atoms...but on a beast like hemolysin (20k atoms); my
dual PIII and 256mb ram just chokes;

Anyone have any hints as to what I should/could do to have a pickable
representation of large  molecules in vtk.  My package will also allow
various representations (ribbon/dots etc.); which are no problem with vtk;
but I really would like to have a ball-stick (with thickness)  type
thing..and am kinda confused about the general way to do it..

All advice will be appreciated.

Many thanks,
Maneesh


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