3 projects tagged "molecular"
Updated 16 Jun 2009
Punto
| Pop | 39.76 |
|---|---|
| Vit | 1.43 |
Punto is a tool for plotting particles. It reads particle data from a file and displays them in a window in several ways, like dots, circles, squares, and spheres. It can also plot vectorial fields. The output can be in one, two, or three dimensions. It is possible to zoom in and out, rotate in three dimensions, draw periodic images, and more. It can produce animations easily from your data files.
Updated 22 Mar 2010
Ascalaph
| Pop | 22.76 |
|---|---|
| Vit | 33.98 |
Ascalaph is a general purpose 3D graphical molecular modeling suite that performs molecular mechanics and molecular dynamics simulations as well as quantum mechanics calculations.
Updated 11 Oct 2010
polypy
| Pop | 17.38 |
|---|---|
| Vit | 30.81 |
Polypy is a small program to analyze rings in structures read from xyz files. This can be used, for example, to identify defects in crystal structures. The program was initially developed to analyze graphitic carbon structures, but can be used for any other structure. It includes: ring search using Franzblau statistics [Phys. Rev. B 44, 4925]; output structures marked by ring size, which can used for visualization in a program such as VMD; and extensive output with which atoms are in which ring and the neighbors of each atom.
