Develop utility command line script to read single cif and write coordinate files/images etc.
What
Want a command line script so a user can read in any ccd cif and
write a sdf if they want to - with options for ideal/model coordinates, hydrogen, alias on off
write a pdb file with options ...
write an image with options ....
Display properties about the molecule - lipinski things - num rings, rotable bonds etc. etc.
How
The command line arguments and the help text for each must be proposed as a comment on this page. The proposal must be agreed to before any coding is done!
If there are exceptions (file does not exist etc.) catch them produce a sensible error message to the user and call sys.exit(1) to indicate to the calling process there was problem.
