VMD-L Mailing List
From: Lane Votapka (lvotapka100_at_gmail.com)
Date: Wed May 25 2011 - 13:17:26 CDT
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Hello again,
I have figured out the answer of my own question for everyone's future
reference:
To cause VMD to load a gaussian cube file in a specified coordinate, all
that needs to be changed is the coordinate at the third line of the file.
Changing these values with a simple text editor or script would do.
I'm not sure whether this can be applied to other ascii or binary map files
such as .dx or .phi files. I would imagine that those files have headers; so
perhaps one of the header lines controls where it is loaded.
Cheers,
-Lane Votapka
On Fri, May 20, 2011 at 3:11 PM, Lane Votapka <lvotapka100_at_gmail.com> wrote:
> Hello All,
>
> I have loaded a gaussian .cube file into vmd that was generated by DelPhi,
> I also have loaded the pdb that the calculation was run for. I want to
> superimpose the two.
>
> The problem is, I CAN move the pdb coordiates, but I CANNOT seem to figure
> out how to move the volume data; which is specifically what I need to do.
> Taking a selection of every atom in the cube file and moving it does not
> work, because there don't seem to be any actual "atoms" in the cube file;
> just coordiates.
>
> Is there a way to move the cube data upon loading or any time after by a
> specific vector? I imagine that any way to move "volume" data of any file
> type (.dx, .phi, etc.) would be sufficient.
>
> Any ideas?
>
> -Lane Votapka
>
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