Re: [ccp4bb]: Incorporating D-alanine

[Garib Murshudov]

You need to use MODRES record in the pdb header. For example: MODRES      MAN S    3  MAN-b-D                                         RENAME In your case it will look like MODRES      ALA S    3  ALA-D                                           RENAME This record should be for each D amino acid you have in your pdb. Garib On 12 Jun 2006, at 15:43, Eun Young Kim wrote: Hi all,   We solved a protein structure with D-alanine incorporated. The problem is that Refmac keeps changing back to L-alanine even after I modeled in as D-alanine. Has anyone dealt with a protein with D-alanine? Any suggestion will be appreciated.   Thanks a lot, Eun Young