Example files for Atoms are provided bellow, with a list of project files, and a list of workspace files (collection of projects).
- Atomes workspace files, collection of projects (*.awf, archived in *.tar.bz2 for download)
Workspace used in the analysis chapter of the user manual.
Workspace used in the visualization chapter of the user manual.
- Atomes project files (*.apf, archived in *.tar.bz2 for download)
Nickel-Phthalocyanine molcules, 512 atoms
Nickel-Phthalocyanine molecules, 320 000 atoms
Example 7 from the DL-POLY manual: 124078 atoms, 21 MD steps, NPT ensemble
Ge2Se3 liquid with ring statistics, 120 atoms
GeS2 glass, 258 atoms, 500 MD steps NVE ensemble
SARS-CoV-2 spike, 6790 atoms
3HIV-1 capsid, 2 440 800 atoms
(Na2O)0.35 [(P205)1-x (B203)x]0.65 with x = 0.2, 5974 atoms
Ribosomal subunit from Deinococcus radiodurans complexed with the pleuromutilin derivative SB-571519, 59 610 atoms
gSiO2 with ring statistics and custom color map, 3000 atoms
gSiO2 glass, 3 000 000 atoms
Modified gSiO2 glass after surface creation and passivation (by H2O and S atoms) 2 480 752 atoms