Label: Difference between revisions
Jump to navigation
Jump to search
mNo edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
===DESCRIPTION=== | ===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: | '''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 ''. | 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 ''. | ||
Revision as of 21:15, 6 January 2006
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
COLOR
Set a label's color by
set label_color, color
where color is a valid PyMol color.
EXAMPLES
label (chain A),chain label (n;ca),"%s-%s" % (resn,resi) label (resi 200),"%1.3f" % partial_charge
Users Comments
Labels Using ID Numbers
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"
Lables Using Three Letter Abbreviations
- First, Add this to your $HOME/.pymolrc file:
# start $HOME/.pymolrc modification
one_letter =3D {'VAL':'V', 'ILE':'I', 'LEU':'L', 'GLU':'E', 'GLN':'Q', \
'ASP':'D', 'ASN':'N', 'HIS':'H', 'TRP':'W', 'PHE':'F', 'TYR':'Y', \
'ARG':'R', 'LYS':'K', 'SER':'S', 'THR':'T', 'MET':'M', 'ALA':'A', \
'GLY':'G', 'PRO':'P', 'CYS':'C'}
# end modification
- . Second, instead of:
label n. ca, resn
use:
label n. ca, one_letter[resn]