Re: [Jmol-developers] Initial .cube file isosurface support

[Miguel <mi...@jm...>]

> Oops,
>
> Sorry, I got distracted by my own sentence.
> What I was going for is that I can imagine that having a lot of
> isosurfaces loaded for a particular structure may require too much
> memory resources, in which case it would be nice to selectively remove
> them from memory too.

Buy more memory=21

> On the other hand, one could consider just zapping the whole thing and
> read all over, but that takes more time if you want to keep some.

OK, I'll think about it

> Something I was wondering about. Is it possible or even preferable to
> be able to keep the volume data in memory (i.e., the voxel data) and be=

> able to tell Jmol to use the set voxel data to create a different
> isosurface without having to reload the cubefile?

My initial implementation worked that way.

But I think in the simple case it was consuming *more* memory because the=

.cube files are so big.

I decided that it was better to mimic the behavior of the 'pmesh' command=

in order to share code and have a more consistent command/control
interface.

> Often for molecular
> orbitals one wants to see two isosurfaces anyway. Maybe that takes even=

> more memory resource....

Yes.


Miguel