On Oct 15, 2007, at 11:45 AM, Angel Herraez wrote:
SITE 1 CAT 3 SER A 200 GLU A 327 HIS A 440
would give e.g.
define site_CAT SER200:A, GLU327:A, HIS440:A
right?
then, you could
select site_CAT
That must be done within the pdb reader, I guess.
For sure the Master can take care of this in a snap :-)
This would be a powerful piece of code for Jmol. Eric Martz
implemented a similar thing in Protein Explorer (see the "Features of
the Molecule" control panel in PE) and it is wicked cool, not to
mention incredibly useful.
There can be more than one "site" defined in a pdb file, for example
catalytic as opposed to ligand-binding, and there can be more than
one of each, of course. I don't know how much that would complicate
things. At present, a minority of pdb file define sites, but still, a
very useful feature when the definitions are there.
Frieda
///////////////////////////////////////////
Frieda Reichsman
Molecules in Motion
Interactive Molecular Structures
http://www.moleculesinmotion.com
///////////////////////////////////////////
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