Angel Herraez wrote:
>Following Eran:
>
>I don't think this is implemented. All mentions of SITE in the doc
>refer to "crystallographic site", which I really don't know what is
>but looks clearly different thing.
>
>But I agree this is an interesting feature, and it does not seem
>difficult to parse that info into an atom expression:
>
>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
>
>
>
>
Jmol 11.3.33 does precisely that. In addition, it creates two user
variables:
site_Cat = "SER200:A,GLU327:A,HIS440:A".split(",")
and
site_list = "site_CAT .... ".split(" ")
where this is a list of all the site names. With the addition also of
"script inline" you can do:
script "select " + site_list[1]
which would be the same as
select site_1
except you can easily loop through all the sites.
Bob
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