[phenixbb] a question on rotamer restraints

Pavel Afonine pafonine at lbl.gov
Sat Oct 31 11:29:13 PDT 2015


Oh good, one problem less!
Pavel

On 10/29/15 03:55, Smith Liu wrote:
> Dear All,
>
>
> I have it solved. The initial PDB was transformed from a VMD fdvd 
> file. Its Ile contained a CD atom. Once changing CD to CD1, the error 
> message disappears.
>
> Smith
>
>
>
>
>
> At 2015-10-29 15:24:12, "Smith Lee" <smith_lee123 at yahoo.com> wrote:
>
>     Dear All,
>
>     When I run phenix.real_space_refine, in the rotamer restraints
>     step I meet the following error message:
>
>     RuntimeError: rotatable bond atoms CG1-CD (as defined by
>     tardy-tree): no match in rotamer-info.tor_ids
>
>     Will you please let me know how to overcome this error?
>
>     Best regards.
>
>
>     Smith
>
>
>
>
>
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