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.
