[phenixbb] a question on rotamer restraints

Smith Liu smith_liu123 at 163.com
Thu Oct 29 03:55:06 PDT 2015

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.


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.

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