Hi Paul,
On Fri, Jun 30, 2017 at 02:00:14PM +0100, Paul Emsley wrote:
> Hi,
>
> What is the best (or easiest) way to convert restraint information
> (and in particular torsion restraint information) from the mmcif
> output of privateer or acedrg to a dic file suitable for refinement
> with Buster/TNT?
the easiest is to not do it ;-)
BUSTER can use dictionaries from eg. $CCP4/lib/data/monomers/?/???.cif
directly ie. similar format to what Grade[1] produces.
You are welcome to write to [log in to unmask] if you
encounter problems in doing so.
Regards,
ClAuS & Andrew (for buster-develop)
[1]: http://grade.globalphasing.org/cgi-bin/grade/server.cgi
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