[Chimera-users] how to use hbonds spec

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


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

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!

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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