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 buster-deve...@globalphasing.com if you encounter problems in doing so. Regards, ClAuS & Andrew (for buster-develop) [1]: http://grade.globalphasing.org/cgi-bin/grade/server.cgi
