[gmx-users] rotational fit in XY plane only

[Erik Marklund]

2 maj 2007 kl. 15.13 skrev Berk Hess:

>
>
>
>> From: "Berk Hess" <gmx3 at hotmail.com>
>> Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> To: gmx-users at gromacs.org
>> Subject: RE: [gmx-users] rotational fit in XY plane only
>> Date: Wed, 02 May 2007 14:10:59 +0200
>>
>>
>>
>>
>>> From: Dr Itamar Kass <ikass at uq.edu.au>
>>> Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>>> Subject: [gmx-users] rotational fit in XY plane only
>>> Date: Wed, 02 May 2007 19:44:12 +0800
>>>
>>> Hi all,
>>>
>>> I study a protein which is moving toward an interface during my
>>> simulation. In order to analyse the why the protein is bound to the
>>> interface I want to fit all my results. There is no problem with
>>> translational fit, but I want to do rotational fit only in the XY  
>>> plane.
>>> Is there a nice way of doing so?
>>>
>>> Best,
>>> Itamar
>>
>> Currently there is not.
>> I would like to have that feature as well.
>
> I implemented an xy only fitting option for trjconv in the  
> development branch.
>

My, you're fast!

/Erik

> Berk.
>
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_______________________________________________
Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,	75124 Uppsala, Sweden
phone:	+46 18 471 4537		fax: +46 18 511 755
erikm at xray.bmc.uu.se	http://xray.bmc.uu.se/molbiophys