[ghemical-devel] molecular surface

[Tommi Hassinen]

On Wed, 25 Jun 2003, Joerg K. Wegner wrote:

> Please let me know any further progresses in this direction, i promise i
> will add some nice surface descriptors and pharmacophore models to
> JOELib, if i'm able to activate this interface correctly (or a student
> will do this).
>
> Unfortunately during the semester it's really hard to find time for such
> things ... and some example code, like the simple_test (mmtest) class
> would help me very much, because i'm not that familiar with your API.

Hmm... I'm not too familiar with methods that are needed in this kind of
applications, I'm afraid. But perhaps it could work the other way; if you
write a description about what is needed, perhaps I could then quickly
write some examples that guide into that direction.

But I'll be on holiday next week, so let's see what we can do after that!

Regards,

	Tommi