BABEL input data?
I have been using BABEL to transform MOPAC output for viewing with
ALCHEMY. Now I need to modify some crystallographic data for viewing
with ALCHEMY. The BABEL instructions mention "FREE FORM FRACTIONAL"
input, but I don't have a example of typical data. I have a list of
xyz fractional coordinates that I would like to convert to ALCHEMY
input. I am not sure how to enter the unit cell dimensions and dir-
ection cosines for a monoclinic unit cell.
Regards, Dave Close.