[gmx-users] re: g_confrms: output of translation vector and rotation matrix

[Markus O Kaukonen]

>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 ?

Hei,

Answering my own question:
Use  Swiss-PdbViewer (http://au.expasy.org/spdbv/)
with fit option and look at translation vectors and
rotation matrix in the end of the saved pdb file

SPDBVT        0.9998360276        -0.0180744920         0.0010919424
SPDBVT        0.0180722028         0.9998345375         0.0020709347
SPDBVT       -0.0011291929        -0.0020508615         0.9999972582
SPDBVT       59.8679962158       312.6530151367       192.5571746826
SPDBVT       58.0636444092       306.7986450195       192.4862060547


Terveisin Markus

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---------- Forwarded message ----------
Date: Tue, 31 Aug 2004 11:10:49 +0300 (EEST)
From: Markus O Kaukonen <mokaukon at cc.helsinki.fi>
To: gmx-users at gromacs.org
Subject: g_confrms: output of translation vector and rotation matrix

Dear All,


This would be usefull when transforming coordinates of small pieces of
protein into the coordinate system of the other.

Best Wishes, Markus.Kaukonen at iki.fi

-- 
-----------www= http://www.iki.fi/markus.kaukonen---------------
Markus.Kaukonen at helsinki.fi   \ HOME->   Verajakallionkatu 6 a 5
Helsinki Bioenergetics Group   \_______  02600 Espoo, Finland
Institute of Biotechnology             \ tel:+358-(0)9-5127122/h
Biocenter 3, P.O.BOX 65 (Viikinkaari 1) \____
FIN-00014 University of Helsinki              \______ H+ ______
tel: +358-(0)9-19159752/o, fax: +358-(0)9-19159920             \
--- Rikos ei kannata, eika maatalous Suomessa. (Paimio 1998) ---