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[ccp4bb]: Carbohydrate patch in CNS

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  I  answered Filip privately about how to get CNS to recognise a bond
between an ASN and a Glc-NAc, but there have been one or two messages in
reply which have suggested having to make a *special* patch for the
bond.  It seems that not everyone is aware that the patch is already
predifined in CNS, and one merely has to fill in the correct section of

{=========================== carbohydrate links

{* Select pairs of residues that are linked *}
{* First entry is the name of the patch residue. *}
{* Second and third entries are the resid and segid for the atoms
   referenced by "-" in the patch. *}
{* Fourth and fifth entries are the resid and segid for the atoms
   referenced by "+" in the patch *}
{+ table: rows=6 numbered
          cols=6 "use" "patch name" "segid -" "resid -" "segid +" "resid
+" +}

{+ choice: true false +}
{===>} carbo_use_1=true;
{===>} carbo_patch_1="B1N";
{===>} carbo_i_segid_1="G"; carbo_i_resid_1=59;
{===>} carbo_j_segid_1="A"; carbo_j_resid_1=59;

  The line "carbo_patch_1" is what tells CNS the type of bond topologies
and parameters to use.  No further patches are required.  One must, of
course, include the the CNS_TOPPAR:carbohydrate.top and
CNS_TOPPAR:carbohydrate.param files in generate.inp and the .param file
in the anneal.inp or whatever refinement/map protocol you use. 

  Harry M. Greenblatt           | Phone: 972-8-934-3625
  Research Assistant            | FAX  :           4159
  Dept. of Structural Biology   |
  Weizmann Institute of Science |
  Rehovot, Israel 76100         | Email: harry.greenblatt@weizmann.ac.il