Tools
This revision is from 2009/03/24 20:12. You can Restore it.
Cuby comes with a set of scripts helping to prepare calculations and work with the results.
Geometry manipulation
- geometry2xyz - Format conversion: to .xyz
- geometry2pdb - Format conversion: to PDB file
- geometry_fragmentation - Script handling multiple tasks useful when preparing fragmented calculation.
Analysis of the results
- et_paths - search for the most probable electron transfer paths in trajectory from MD