VMD-L Mailing List
From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Thu Jul 07 2011 - 15:32:27 CDT
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Hi Christian,
You could just use representations using carefully designed selection
texts, such as:
same residue as ((basic and sidechain and nitrogen) and within 3.2 of
(acidic and sidechain and oxygen))
and the same text, swapping acidic/oxygen and basic/nitrogen. Those
should give you about the same answers as the plugin, I think.
Pfüt di!
Jerome
On 7 July 2011 20:01, John Stone <johns_at_ks.uiuc.edu> wrote:
> Hi,
> There isn't currently an automatic graphical representation for this,
> but you should be able to write a script that does this for you
> fairly automatically.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Jul 07, 2011 at 08:06:51AM +0200, Christian Wohlschlager wrote:
>> Hello all of you !
>>
>> I 'm working with saltbridges on a molekul as i saw i can get with the
>> saltbrige plugin the text form, but is there also a script that shows me
>> the briges in visual form.
>>
>> i want to now exactly the position of the saltbrige.Of course i can make a
>> represantation :
>>
>> resname GLY and residue 120
>>
>> resname PRO and residue 79
>>
>> (this is just an example)
>>
>> for each saltbrige on the molekul but this would be a lot of work. I just
>> want to know if there i a easier way of doing this
>>
>> thanks a lot
>>
>> christian
>>
>>
>>
>> Christian Wohlschlager
>> JKU Universita:t Linz
>> Altenbergerstr.69
>> 4040 Linz
>> Austria
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349
> http://www.ks.uiuc.edu/Research/vmd/ Fax: 217-244-6078
>
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