collection of bash/AWK/python scripts for processing xyz coordinate files
- all2all.sh compute bond distances and angles
- expandxyz.sh expand to multiple periodic cells
- xyzdimensions.sh compute min/max(x,y,z)
- xyzinterpolate.py interpolate coordinates between file1 and file2 to generate a path
- xyzrotate.py rotate an xyz structure
- create_crystal.py generate some generic crystal structures (FCC,BCC,hexagonal,diamond,wurtzite)