Macromolecular Geometry
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We are interested in the calculation of geometrical quantities associated with macromolecular structures and their motions. These include volumes, surfaces, axes, angles, and distances. Volumes and other quantities related to packing are of particular interest. For instance, one goal is to characterize the special type of atom-to-atom packing that occurs at interfaces, such as those between a protein and water. This analysis is motivated by the work on protein packing begun by Fred Richards a quarter century ago. | We are interested in the calculation of geometrical quantities associated with macromolecular structures and their motions. These include volumes, surfaces, axes, angles, and distances. Volumes and other quantities related to packing are of particular interest. For instance, one goal is to characterize the special type of atom-to-atom packing that occurs at interfaces, such as those between a protein and water. This analysis is motivated by the work on protein packing begun by Fred Richards a quarter century ago. | ||
| - | = = Downloadable Software = = | + | == Downloadable Software == |
*[http://geometry.molmovdb.org/nucprot/ NucProt Site] | *[http://geometry.molmovdb.org/nucprot/ NucProt Site] | ||
*[http://www.molmovdb.org/cgi-bin/voronoi.cgi Packing-Eff Online] | *[http://www.molmovdb.org/cgi-bin/voronoi.cgi Packing-Eff Online] | ||
Revision as of 21:52, 25 June 2008
We are interested in the calculation of geometrical quantities associated with macromolecular structures and their motions. These include volumes, surfaces, axes, angles, and distances. Volumes and other quantities related to packing are of particular interest. For instance, one goal is to characterize the special type of atom-to-atom packing that occurs at interfaces, such as those between a protein and water. This analysis is motivated by the work on protein packing begun by Fred Richards a quarter century ago.
== Downloadable Software ==
- NucProt Site
- Packing-Eff Online
- Parameter Sets for Geometry Programs
- Geometry library with sample programs
- libproteingeometry-2.3.1.tgz (full distribution v2.3.1) (README)
- Windows binaries, src-diff (provided by Donald Gaffney at U Vermont)
