VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Mar 30 2012 - 12:44:35 CDT
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- In reply to: Andrew DeYoung: "RE: Dynamically displaying the length of hydrogen bonds"
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On Fri, Mar 30, 2012 at 12:54 PM, Andrew DeYoung
<adeyoung_at_andrew.cmu.edu> wrote:
> Hi,
>
> Thanks for your time. Sorry, but no, this doesn't seem to be what I'm
> looking for. I'm looking for a way to actually print the exact length of
> the hydrogen bond next to the red dashed line representing it (i.e., a text
> label). I know that it is possible to label specific bonds/lengths by going
> to "VMD Main" -> "Mouse" -> "Label" -> "Bonds". However, my hydroxyl groups
> rapidly form and break hydrogen bonds (due to ion motions), so I cannot just
> pick one distance and label it.
this is technically possible, but would require
a significant amount of Tcl scripting. you have
access to all the required graphics primitives
and measure hbonds will provide the atom indices.
axel.
> Thanks so much.
>
> Andrew
>
> ________________________________
>
> From: Wang Yi [mailto:dexterwy_at_gmail.com]
> Sent: Friday, March 30, 2012 12:24 PM
> To: Andrew DeYoung
> Cc: vmd-l_at_ks.uiuc.edu
> Subject: Re: vmd-l: Dynamically displaying the length of hydrogen bonds
>
>
> "Representation" -> "Trajectory Tab" -> "Update selection every frame"
>
> Is this what you're looking for?
>
>
> ___________________________
>
> Yi (Yves) Wang
> Duke University
>
>
>
>
>
>
>
> On 2012-3-30, at 上午11:30, Andrew DeYoung wrote:
>
>
> Greetings,
>
> I am using "Drawing Method = HBonds" in "Graphical Representations"
> in the
> VMD GUI to display hydrogen bonds (I am using a distance cutoff of
> 3.0
> Angstrom and an angle cutoff of 20 degrees).
>
> Is it possible to dynamically display the length of each hydrogen
> bond?
>
> Thank you!
>
> Andrew DeYoung
> Carnegie Mellon University
>
>
>
>
>
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 College of Science and Technology Temple University, Philadelphia PA, USA.
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