Héctor,
The best way to do this would be to include Jmol in your project as a
JmolViewer object and use that API. But if you want to do this from scratch,
look at the src/jmol/jvxl directory, which is the origin of all the
surfaces. src/jmol/jvxl/readers/IsoSolventReader.java creates the protein
surfaces. It provides the grid data for the Marching Cubes algorithm in
src/jmol/jvxl/calc.
void generateSolventCube(boolean isFirstPass)
is a good starting point.
Bob Hanson
2010/11/24 Héctor Valverde Pareja <bu...@hectorvalverde.com>
> Hello, dear developers. This is the first time i write in this list. Nice
> to be between all you.
>
> I can see that Jmol is capable of calculate de surface of proteins. Now, i
> want to implement this code in my java program.
>
> Which clases i need to obtain the values of the solvent accesible and
> molecular areas (ASA & MSA) from the Jmol repository?
>
> Also, i need to calculate, with my program, the relative ASA and MSA
> surface of each residue.
>
> Can you give me any advice for this project?
>
> Best wishes from Málaga, Spain.
>
> <http://www.hectorvalverde.com/>
> Héctor Valverde,
> Biologist.
> Universidad de Málaga
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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