Egon,
I exchanged brief email messages with Raj today.
> But maybe, the developer can better make a plugin for it?
>From his description, it looks like this is some type of graph (instead of
a surface). In which case, you are right. The plugin mechanism is the way
to do it.
Miguel
> On Wedne
On Wednesday 26 November 2003 22:34, Miguel Howard wrote:
> > Thus, a force field can be used to generate 3D coordinates.
>
> Do these 3d coordinates define a closed surface?
A force field is not like an electric field... it's a field in
multidimensional space representing the energy of a 3D con
> Thus, a force field can be used to generate 3D coordinates.
Do these 3d coordinates define a closed surface?
I am wondering whether or not these calculations should be made in the
context of CDK.
Perhaps the JmolModelAdapter can be extended to allow one to pass sets of
coordinates that define
On Wednesday 26 November 2003 16:59, Miguel Howard wrote:
> It would also be helpful for me to have a little more background
> information about 'force fields' ... just so I can start thinking about
> where it fits into the architecture.
A force field is a mathematical description of reasonable 3D
Christoph,
On #cdk irc ...
shk3 told me that you wanted to add another developer to Jmol ... to work
on a force field algorithm.
Send me the information and I will be glad to do it.
It would also be helpful for me to have a little more background
information about 'force fields' ... just so I c
