[ghemical-devel] molecular surface

[Joerg K. Wegner]

Hello,

thank's for libghemical, it works fine.

Now i'm interested in calculating the surface (and properties) of molecules.

i've found some related methods in ghemical, but i'm not really able to 
see how the surface is stored and calculated.

project.cpp: "volrend"
plane.cpp: volume_rendering_object

So here are my questions:

1. model sucessfull created
2. what is the exact process to calculate a molecule surface
    2.1. init ?
    2.2. calculate, please exact method name with explicit parameters ?
    2.3. getData as 3 dimensional array or object ?

is this only possible, when using glade,gtk and gtkgl ?
i've found also some cryptic methods in the mopac subdirectory, but i 
was not really able to resolve the method calling mechanism.

Regards, Joerg

-- 
Dipl. Chem. Joerg K. Wegner
Univ. Tuebingen, Computer Architecture, Sand 1, D-72076 Tuebingen, Germany
Tel. (+49/0) 7071 29 78970, Fax (+49/0) 7071 29 5091
E-Mail: mailto:wegnerj@informatik.uni-tuebingen.de
WWW:    http://www-ra.informatik.uni-tuebingen.de