Good tries, all! But the way to do this is

load "myfile.pdb"  1

:)

Bob

On Wed, May 30, 2012 at 8:19 AM, Rolf Huehne <rhuehne@fli-leibniz.de> wrote:
On 05/30/2012 01:35 PM, Daniel Carbajo wrote:
> Hello everyone,
> I have a very basic doubt... I never had to deal with NMR structures and
> I'm not sure how to deal with them... The question is very simple: how can
> I load just the first model of an NMR structure? I guess using the FILTER
> argument? I load the chain of interest of a structure from a zip file
> filtering out HOH as well, like this example:
> load myzip.zip|structures/2L6F.pdb filter ':A, ![HOH]'
>
> Should I write something like:
> load myzip.zip|structures/2L6F.pdb filter 'MODEL:1, :A, ![HOH]'
> ??
>
Since the expressions recognized by the 'FILTER' option are much more
basic than the regular atom expressions I doubt that it is possible to
filter out models with it.

But there exists a special 'MODELS' option for that described in the
Jmol scripting documentation
(http://chemapps.stolaf.edu/jmol/docs/#loadmodels). There are different
syntax options available. A major difference is the model numbering,
starting either with 0 or 1. For the first model the following two
commands should work since Jmol 11.8 (untested by me):

1) load MODELS "filename" [0]
2) load MODELS ({0}) "filename"

I would guess that it will be no problem to combine the 'MODELS' and
'FILTER' option to get the firtst model without water molecules.

Regards,
Rolf

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