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Re: Software to read and check CIFs...

John Westbrook (jwest@wormhole.rutgers.edu)
Fri, 30 Aug 1996 07:47:30 -0400 

On Aug 30,  7:38am, Prof. Joel L. Sussman wrote:
> Subject: Re: Software to read and check CIFs...
> 	30-Aug-96   2:40pm
> Dear John,
> 	I've been looking at the tools etc, but I wanted to
> know if there is particular tool, kind of a turn key tool,
> which would allow me to check directly if a file were
> compatible with the mmCIF dictionary and ddl.  Specifically
> something like
>
> 	'CIFCHECK  file_in'
>
> and the output would be a series of diagnostics to let me
> know if the file was OK or not.  It would be particularly
> nice if this could run locally given the mmCIF dictionary
> and ddl.
> 	Looking forward to hearing form you.
> 	Best regards,
> 	Joel
>-- End of excerpt from Prof. Joel L. Sussman

Yes!

The example programs for the CIFLIB C API do precisely this.  For instance,
you can fire up the first demonstration program using the following:

     demo1 -ddl <ddl_file_name> -dict <mmcif_dict_name>  [cif_file,...]

and the demo will print a list of diagnostics that it finds in your
dictionaries and data files.

Regards,

John

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