VMD-L Mailing List

From: andrea spitaleri (spitaleri.andrea_at_hsr.it)
Date: Fri May 26 2006 - 03:01:41 CDT

Hi,
I think you should use something like:

set nframes [molinfo 0 get numframes]

Regards

and

Samuel Flores wrote:
> Hi Guys,
>
> Is there a way to determine the number of frames in a file? I would like to
> render each frame, then later make an animated gif. However to do that I
> have to know the maximum frame number..
>
> Thanks
>
> Samuel Flores
> Graduate Student
> Gerstein Lab
>
> Office:
> Bass 437
> 266 Whitney Avenue
> New Haven, CT 06520
> 203.432.5405
>
> Home:
> 28 Pearl Street
> New Haven, CT 06511
> cell: 203.747.2682
> -----Original Message-----
> From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
> John Stone
> Sent: Thursday, May 25, 2006 3:54 PM
> To: Leyla Celik
> Cc: vmd
> Subject: Re: vmd-l: rmsf
>
>
> Hi,
> The "measure rmsf" command in VMD 1.8.4 only calculates the RMSF for
> each atom independently and doesn't do any sort of summing of atoms in
> groups. You could do this yourself in a Tcl script if you know what
> you want. If what you really want is rmsd for these groups of atoms,
> then use "measure rmsd" instead.
>
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Wed, May 24, 2006 at 01:07:55PM +0200, Leyla Celik wrote:
>
>>Hi,
>>
>>I want to calculate the rmsf fluctuation for groups of atoms (aminoacid
>>groups). Is this possible and if so how do I implement it in Tcl?
>>If it is not possible to do for groups of atoms I would also like some
>>help impelementing if for sigle atoms.
>>
>>Thanks
>>
>>
>>--
>>Leyla Celik
>>Kemisk Institut
>>Aarhus Universitet
>>Langelandsgade 140
>>8000 Århus C
>>Danmark
>>Tlf: +45 8942 3869
>>e-mail: lc_at_chem.au.dk
>
> 

-- 
-------------------------------
Andrea Spitaleri
Dulbecco Telethon Institute
c/o DIBIT Scientific Institute
Biomolecular NMR, 1B4
Via Olgettina 58
20132 Milano (Italy)
-------------------------------
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