[phenixbb] Phenix eLBOW output cif missing Chi angle information

Xiao Lei xiaoleiusc at gmail.com
Fri Oct 2 12:26:32 PDT 2015

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.
[image: Inline image 1]
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