[Chimera-users] how to use hbonds spec

Miguel Ortiz-Lombardía ibdeno at gmail.com
Wed May 7 06:40:32 PDT 2008


Hello,

I'm trying to follow hydrogen bonds in a trajectory from amber. To do so, I
would like to run a 'per frame' script with something like:

hbonds spec :100 selRestrict cross relax false

However, this fails because apparently no atoms are selected. This fails as
well:

hbonds spec #0:100 selRestrict cross relax false

I can only see the hydrogen bonds if insert a

select :100

before the hbonds command. I wouldn't like to see the green 'aura' of the
selection, that's why I would like to make the selection within the hbonds
command. I'm probably missing something, but cannot figure out what.

Thank you!


Miguel
-- 
http://www.pangea.org/mol/spip.php?rubrique2
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Je suis de la mauvaise herbe,
Braves gens, braves gens,
Je pousse en liberté
Dans les jardins mal fréquentés!
Georges Brassens
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