Thanks Jason. X paramed.py is a great tool atelast for me.
Arun
On Wed, Sep 24, 2014 at 2:57 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Wed, Sep 24, 2014 at 12:25 PM, Arun Srikanth <askforarun.gmail.com>
> wrote:
>
> > Thanks for the quick reply. Then, I have another question. Consider the
> > following example of methane
> >
> > 1 -C
> > 2- H
> > 3-H1
> > 4-H2
> >
>
> I assume 5 is H3 for methane.
>
>
> > now if you use
> >
> > printbonds.1 you get four bonds which is right.
> >
>
> Right, because atom 1 is bonded to atoms 2, 3, 4, and 5.
>
>
> >
> > if you try using printbonds .1-2 I was expecting 5 bonds to show up.
> Since
> > atom 2 is bonded to atom1 and atom 1 is bonded to all the four hydrogens.
> > but it is showing only four.
> >
>
> But atom 2 is bonded only to atom 1, so that bond is already printed by
> .1.
>
>
> > Is this right ?
> >
>
> Yes, the current behavior is right.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Wed Sep 24 2014 - 12:30:02 PDT
