[phenixbb] Phenix eLBOW output cif missing Chi angle information

Xiao Lei xiaoleiusc at gmail.com
Fri Oct 2 14:24:44 PDT 2015

Hi Nigel,
I did import the restraint (the cif file generated from eLBOW) into coot
and still has the error issue.

On Oct 2, 2015 1:23 PM, "Nigel Moriarty" <nwmoriarty at lbl.gov> wrote:

> Did you load the restraints dictionary from eLBOW into coot using File ->
> Import CIF dictionary?
> Cheers
> Nigel
> ---
> 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
>> Unsubscribe: phenixbb-leave at phenix-online.org
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