VMD-L Mailing List

From: Joshua Adelman (jla65_at_pitt.edu)
Date: Wed Sep 22 2010 - 15:52:11 CDT

Hi Katherine,

Simply make the selection of atoms that you want:
set A [atomselect <molid> "all" frame <framenumber>]

where <molid> is the molid of the loaded trajectory and <framenumber>
is the desired frame. Then,

$A writepdb <outputfilename>.pdb

and just repeat to get the desired frames. You can probably do some
fancier scripting to automate this, but this should get you started.
Have a look at the VMD user manual for more info about tcl commands.

Best wishes,
Josh

On Sep 22, 2010, at 3:05 PM, Katherine Parra wrote:

> Dear VMD users.
>
> I would like to know:
> how to write in separated pdb files selected frames of one
> trajectory, after loading dcd and psf files.
>
> Thanks in advance.
>
> KP