[phenixbb] Phenix eLBOW output cif missing Chi angle information

Nigel Moriarty nwmoriarty at lbl.gov
Fri Oct 2 13:23:27 PDT 2015

Did you load the restraints dictionary from eLBOW into coot using File ->
Import CIF dictionary?



Nigel W. Moriarty
Building 33R0349, Physical Biosciences Division
Lawrence Berkeley National Laboratory
Berkeley, CA 94720-8235
Phone : 510-486-5709     Email : NWMoriarty at LBL.gov
Fax   : 510-486-5909       Web  : CCI.LBL.gov

On Fri, Oct 2, 2015 at 12:26 PM, Xiao Lei <xiaoleiusc at gmail.com> wrote:

> Hi Phenix BB members,
> I tried to generate restraints of 3-METHYL-BETA-D-ASPARTIC ACID (PDB 3
> letter code ACB, http://www.rcsb.org/pdb/ligand/ligandsummary.do?hetId=ACB).
> I am using this as a template for D-iso-aspartic acid in my model because I
> can not find a 3 letter code for the exact D-iso-aspartic acid (I know for
> L-iso-aspartic acid the code is IAS but no code for D-iso-aspartic acid)
> I can search in Phenix eLBOW (Mac Phenix Version 1.10pre) with code ACB
> and I can find the code and right compound, I tried to generate restraints
> of ACB using eLBOW and I got a cif and pdb output of the compound. However
> when I import the compound into coot, delete the methyl group to make the
> compound a D-isoAsp, and click "edit chi angles", I receive an error: This
> residue does not have assigned torsion/chi angles".  I do not know what I
> should do to fix the problem. I thought eLBOW would automatically generate
> Chi angles but actually it did not in my case.  I appreciate if you have
> any input on this.
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
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