Label

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Revision as of 08:09, 22 April 2005 by Inchoate (talk | contribs)
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DESCRIPTION

   "label" labels one or more atoms properties over a selection using
  the python evaluator with a separate name space for each atom.  The
  symbols defined in the name space are:

     name, resn, resi, chain, q, b, segi, type (ATOM,HETATM) 
     formal_charge, partial_charge, numeric_type, text_type

  All strings in the expression must be explicitly quoted.  This
  operation typically takes several seconds per thousand atoms
  altered.

  To clear labels, simply omit the expression or set it to .

USAGE

label (selection),expression

EXAMPLES

label (chain A),chain
label (n;ca),"%s-%s" % (resn,resi)
label (resi 200),"%1.3f" % partial_charge

Users Comments

The following commnent,

label SELECTION, " %s" % ID 

labels the SELECTION with atom ID numbers.

You can make more complicated selections/lables such as

label SELECTION, " %s:%s %s" % (resi, resn, name)

which will give you something like "GLU:139 CG"