[phenixbb] reference model restraints by segid

Nigel Moriarty nwmoriarty at lbl.gov
Thu May 28 14:10:44 PDT 2015


The error says it doesn't like the TER cards. Remove them all and retry.

Cheers

Nigel

---
Nigel W. Moriarty
Building 64R0246B, 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 Thu, May 28, 2015 at 1:29 PM, jp d <yoyoq at yahoo.com> wrote:

> Hi,
> I am having trouble getting phenix to used segid's in reference model
> restraints when
> my reference and target pdbs both don't use chain ID's.
> phenix quits with this message:
>
> *** Adding Reference Model Restraints ***
> Sorry: chain ' ' in /home/path/removed/agnref2.pdb contains one or more
> errant TER cards.
> Please remove and try again.
>
> my definition file looks like this:
> refinement {
>    main {
>      reference_model_restraints = True
>    }
>    reference_model {
>      file = two.pdb
>    }
> }
>
> refinement.reference_model.reference_group {
>  reference = segid A16S
>  selection = segid A16S
> }
> (above about 50 more times)
>
> this was on versions 1.9-1692 , dev-2016 and dev-2056
>
> any suggestions ?
> thanks
> jpd
>
>
>
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