The ABINIT Users Mailing List ( CLOSED )

["Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>]

nh nh wrote:

> Dear Abinit Users!
> I'm a new Abinit user, I don't know how to view structure in *.out, 
> *.xml. I have used Jmol, but it can't!
>       Please let me know how to view them, what tool is it? If I run MD, 
> how to view trajectories?

If you use the

prtgeo 1

command it will print you all the structures in a separate file in xmol 
format which is easily readable by common chemistry programs such as 
molekel,vmd or chemcraft. You can copy paste each trajectory structure 
or use the grep shell command (if you have unix utilities around) to 
snatch the necessary data onto a different file.

cheers,

--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--