Re: [AMBER] Xparmed.py

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 24 Sep 2014 14:57:51 -0400

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 - 12:00:02 PDT
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