[ccp4bb]: how to perform a new dictionary card

[Phil Evans <pre@mrc-lmb.cam.ac.uk>]

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Gali Prag writes:
 > 
 > Shalom to all,
 > I wish to build a new dictionary cards of a sugar, using the
 > MAKEDICT program FOR PROTIN
 > (i have a structure model in PDB format as input).
 > I'm encountering some problems:
 > - Is there an importance to the order of the atoms in the PLANE and
 > CHIRAL?
 > - If it, how it should be ordered?

plane can be in any order

Chiral the order matters, see doc

  CHIRAL <central atom> <atom2> <atom3> <atom4>
  
   List of atoms in chiral group.
   
   Note the TNT convention for chiral groups: 1st atom is central atom
   Look from central atom towards the lowest-priority atom (nearly always
   H), then list the other atoms (which are towards you) in a clockwise
   order.

 > - Is there any documentation and/or examples explaining the
 > dictionary file with which PROTIN works?
 > - Where should i place the cards for planarity and chirality within the
 > dict file?
 > - What about connectivity and should it appear there?


The protin dictionary file is described in the protin documentation

	Phil