David Aragao wrote:
>
> We have here a structure with D aminoacids. We have edited (Coot -->
> Edit Restrains) the dictionary for the residue, relabelled lets say
> DLE (instead of LEU), changed the chiral volume from negativ to
> positiv and saved the new cif file. Upon loading the structure and the
> new dictionary the validation for chiral volumes (Coot --> Validate
> --> incorrect chiral volumes) does not highlight the residue as wrong
> chiral volume.
I see - yes, from that description, it sounds like it should. I just
tried it and I do get chiral volume outliers. Just for the record, did
you change the comp_id and the tlc?
> However we cannot use the Rotomers function. We get a blank window
> where the different rotamers should appear.
>
> Any insight how to add them to the dictionary?
AFAIK, there is no rotamer library for D amino-acids.
Paul.
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