Timothy Driscoll wrote:
On May 9, 2006, at 4:08 p, Nicolas Vervelle wrote:
Angel Herraez wrote:
Diificult to distinguish, since most atoms nr. 3 are close to each
other.
I have tested with another file and yes, it is selecting atoms in
any model that are close to specified atom in any model (i.e, not
only within the same model).
Test attached PDB file using atomno=22 as the reference
From my totally non-expert point of view, this behavior seems very
strange and unnatural.
(since different models could be totally unrelated to each other, or
related in different ways)
I don't see why someone would want to select atoms at coordinates
near at atom in an other model.
as one example, it makes scripting multi-model animations much
easier. for instance, I can use this script:
select all
spacefill 30%
wireframe 0.25
select within(4.0, ligand)
color green
anim on
to visualize, with just a few script commands, how the binding site
for a ligand behaves across different models. this would be more
difficult if within were restricted by model. not impossible, but not
as elegant in my opinion.
well, is your ligand present in each model ?
if yes, then it will still work correctly (and better IMHO)
I am not proposing to restrict it to one model (it's already possible
with specifying the model number), but so that within-distance takes
each models separately.
In your above example, it would select all atoms that are less than 4.0
distant to a ligand in their model.
Currently, it selects all atoms that are less than 4.0 distant to a
ligand in any other model.
Nico
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