Re: [Open Babel] easiest way to generate xyz files

[Michael B. <mb...@gm...>]

On Sat, May 22, 2004 at 04:41:05PM -0400, Geoff Hutchison wrote:
> If I have some free time later tonight, I'll hack away at obgrep.

Just pointing this out for the moment, before obgrep gets too popular
and people get too used to it:

I believe we should try to standardize the command-line behaviour of the
executables we ship, preferably in the getopt standard.
 
> >- we are working to capture crystal structures at source and have 
> >developed a cif2cml tool in Java. If there is demand we can probably 
> >convert this fairly easily to C++ and fit into OB.
 
> Well, CIF is certainly a major format OB doesn't handle. :-)

Yeah :-/


Michael