[gmx-users] g_confrms: output of translation vector and rotationmatrix

[Anton Feenstra]

Berk Hess wrote:

> 
> 
> 
>> From: Markus O Kaukonen <mokaukon at cc.helsinki.fi>
>> Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>> To: gmx-users at gromacs.org
>> Subject: [gmx-users] g_confrms: output of translation vector and 
>> rotationmatrix Date: Tue, 31 Aug 2004 11:10:49 +0300 (EEST)
>>
>> Dear All,
>>
>> Is it somehow possible to obtain the actual
>> translation vector and rotation matrix between similar structures
>> in different cartesian coordinate systems from
>> g_confrms (or any other gromacs) program ?
>>
>> This would be usefull when transforming coordinates of small pieces of
>> protein into the coordinate system of the other.
> 
> 
> I think you can get these coordinates from the fit.pdb ouput of g_confrms.

And you can get the trans & rot from the coordinates before and after
fit. Compare any three (not too close) atoms.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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