dynamics trajectories

0 ehrlich at cuckoo.EMBL-Heidelberg.DE
Fri Mar 20 03:43:32 EST 1998


Hi Jean-Philippe,



I use VMD for that purpose 

	http://www.ks.uiuc.edu/Research/vmd/

Its free, very powerful and uses OpenGL. Besides the atom selection
language is really useful. 

For quantitative analysis, I wrote a DCDReader module for the
MolecularModellingToolkit (MMTK), written by Konrad Hinsen (check out 

	http://starship.skyport.net/crew/hinsen/mmtk.html)

My DCD reader has already made it into the distribution, so you can use it
without problems with XPLOR DCD files (I do all my MD stuff in XPLOR right
now and analyze the trajectories with MMTK, as I find XPLOR way too clumsy
for that).

Hope that helps,
	
	Lutz

---------------------
Lutz Ehrlich

Structural Biology
EMBL
Meyerhofstr. 1
D-69012 Heidelberg
Germany

email:	lutz.ehrlich at embl-heidelberg.de
	or	lutz at metaversum.de
web  : http://www.embl-heidelberg.de/~ehrlich
phone: +49-6221-387-140
fax  : +49-6221-387-517



-- 
---------------------
Lutz Ehrlich

Structural Biology
EMBL
Meyerhofstr. 1
D-69012 Heidelberg
Germany

email:	lutz.ehrlich at embl-heidelberg.de
	or	lutz at metaversum.de
web  : http://www.embl-heidelberg.de/~ehrlich
phone: +49-6221-387-140
fax  : +49-6221-387-517



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