Thanks Jose - I missed that one.
REMARK 2 is somewhat ambiguous with:
_refine.ls_d_res_high
and
_reflns.d_resolution_high
although the former makes more sense and seems to be what corresponds to
REMARK 2. Haven't yet seen an entry with only _reflns.d_resolution_high
and not _refine.ls_d_res_h
REMARK 2 is generated from
_refine.ls_d_res_high
http://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v40.dic/Items/_refine.ls_d_res_high.html
Regards
John
On Wednesday 08 July 2015 15:04:45 Jose Manuel Duarte wrote:
> This looks like the mapping you are after:
>
> http://mmcif.wwpdb.org/docs/pdb_to
This looks like the mapping you are after:
http://mmcif.wwpdb.org/docs/pdb_to_pdbx_correspondences.html
It maps only the structured PDB data items to their equivalent mmCIF
items. For instance REMARK 2 is not there, but REMARK 200 is. The
resolution value should then be in "REMARK 200 RESOLUTI
On Tuesday, 07 July, 2015 13:05:55 Phil Jeffrey wrote:
> I'm updating some code to have limited mmCIF/PDB format interoperability
> and have hit a snag. While I can infer the connection between some data
> items in the PDB header REMARK and the items in mmCIF I can't
> definitively deduce some
I'm updating some code to have limited mmCIF/PDB format interoperability
and have hit a snag. While I can infer the connection between some data
items in the PDB header REMARK and the items in mmCIF I can't
definitively deduce some others. In particular the mapping of
REMARK 2 RESOLUTION
se
