Thanks, Bob!
Should this translation work?
[Chime] select ::10 and within(12.0, ::11)
[Jmol] select 1.10 and within(12.0, 1.11)
There is no error in the script, however it doesn't really select
those atoms from model 10 at 12.0 Amstrongs of model 11... as it does in
Chime... Am I missing anything?
Many thanks!!
Regards,
Edu.
Robert Hanson <hans...@stolaf.edu>
06/10/2010 14:50
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Re: [Jmol-developers] Within operator and models
select ::10
isn't a recognized selection. Tenth model in the first file is
select 1.10
You can also use
select model=10
if you want to use the MODEL reference number in the PDB file.
restrict
is pretty much deprecated. I would recommend using
display
because it is reversible and just basically makes a whole lot more sense.
Bob
On Wed, Oct 6, 2010 at 2:00 AM, Eduardo Harguindey Lopez <
harguindey_lopez_edua...@lilly.com> wrote:
Hello Everyone.
I'm newbie in Jmol, and I'm having some dificulties translating some
Chime/Rasmol scripts to run with Jmol.
The problem I'm facing is when selecting models, as in the input .pdb
several models are present.
This is the Chime script to convert:
script="select all; wireframe off;
select ::10; cartoon 30; color greenblue;
select ::10 and within(12.0, ::11); wireframe 10;
color cpk; restrict not hydrogen;
select ::10 and within(12.0, ::11) and carbon;
color greenblue; restrict not hydrogen;"
What seems to break the script in Jmol is having a model in "within".
I've seen in the email archive a post from 2005 stating that "Models are
completely independent. We do not bond across models and the within
operator does not span models".
Has this been addressed since then?
I'm using jmol-12.0.15 in my tests.
Many thanks.
Regards,
Edu.
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