[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
>
>
>
>
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
> Unsubscribe: phenixbb-leave at phenix-online.org
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20151031/a03e81df/attachment.htm>
More information about the phenixbb
mailing list