[phenixbb] refining sugars

Jose M Casasnovas jcasasnovas at cnb.csic.es
Thu Oct 1 04:04:36 PDT 2009

   Dear Ralf.

   I just solved the problem with the sugar refinement.  Somehow the
way the BETA1-4 cif defines the link is in the reverse order to the
NAG-ASN cif link (at least to way I was used to do it).
In the NAG-ASN cif, residue_selection_1 in the phenix.refine input
must be the NAG and residue_selection_2 the ASN, such as I was used
to do in CNS.
However, the BETA1-4 cifs follows the opposite way:
residue_selection_1 must be the first sugar residue (linked through
O4) and residue_selection_2 the second sugar (linked through the C1),
which is the most distant residue to the Asn.

   Thanks so much for your help and to all who sent comments and

   Jose M Casasnovas
Centro Nacional de Biotecnología (lab. B16)
CSIC, Campus UAM
Darwin 3
28049 Madrid
Ph.  34 915854917(8)
Fax. 34 915854506
email: jcasasnovas at cnb.csic.es

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20091001/47d2ba7d/attachment-0003.htm>

More information about the phenixbb mailing list