[phenixbb] a question on rotamer restraints

[Smith Liu]

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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