VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Mon Jul 28 2003 - 13:33:51 CDT

On Mon, 28 Jul 2003 13:04:31 -0500 "Shantipriya Tenneti" wrote:

> Dear Sir,
>
> I had infact used BABEL to convert it from the .xyz format to the .pdb f
ormat.
>
> & it still shows a single frame.
> That is the reason I dont know what to do.

dear shanti,

would you mind sending me your problematic xyz file so that
i can have a look at it (please don't send it to the list).
even better would be, you send the babel converted pdb file
along as well.

take care,
        axel.

> --
>
> --------- Original Message ---------
>
> DATE: Mon, 28 Jul 2003 09:13:51
> From: "Axel Kohlmeyer" <axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de>
> To: dl_poly_shanti_at_lycos.com, vmd-l_at_ks.uiuc.edu
> Cc:
>
> >>>> "ST" == Shantipriya Tenneti <dl_poly_shanti_at_lycos.com> writes:
> >
> >
> >ST> Dear Mr.Stone,
> >
> >ST> I have loaded a .xyz file having 1242 atoms & got .pdb as the ou
tput..
> >
> >ST> When I loaded it into VMD.. I saw the molecular structure but then, it o
nly has a single frame.
> >
> >ST> I even got a history file from DL_POLY having 10 time steps & loaded it
into VMD but then it still showed me a single frame.
> >
> >ST> Am I not doing things correctly? how can I get multiple frames so that I
 could see the animated molecular structure?
> >
> >ST> -Shanti
> >
> >
> >dear shanti,
> >
> >this should be fixed in the upcoming version 1.8.2 of vmd.
> >in the meantime you should be able to read your xyz files using
> >the 'Convert from: XYZ' file type, i.e. implicitely running it through
> >babel.
> >
> >hope this helps,
> > axel.
> >
> >
> >ST> ____________________________________________________________
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> >
> >
> >
> >--
> >
> >=======================================================================
> >Axel Kohlmeyer e-mail: axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
> >Lehrstuhl fuer Theoretische Chemie Phone: ++49 (0)234/32-26673
> >Ruhr-Universitaet Bochum - NC 03/53 Fax: ++49 (0)234/32-14045
> >D-44780 Bochum http://www.theochem.ruhr-uni-bochum.de
> >=======================================================================
> >If you make something idiot-proof, the universe creates a better idiot.
> >
>
>
>
> ____________________________________________________________
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--
=======================================================================
Axel Kohlmeyer      e-mail:  axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.