[phenixbb] Phenix eLBOW output cif missing Chi angle information
nwmoriarty at lbl.gov
Fri Oct 2 14:32:17 PDT 2015
Please send me the files directly.
NB. Any files sent to me will be held in strictest confidence.
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 2:24 PM, Xiao Lei <xiaoleiusc at gmail.com> wrote:
> 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?
>> 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
>>> Unsubscribe: phenixbb-leave at phenix-online.org
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