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[ccp4bb]: how to perform a new dictionary card
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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
> - 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
> - 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