xyz-scripts

collection of bash/AWK/python scripts for processing xyz coordinate files

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)