VMD-L Mailing List

From: Josh Vermaas (vermaas2_at_illinois.edu)
Date: Wed Aug 12 2015 - 08:56:53 CDT

Hi Yeping,

How was the situs file generated? Be very specific here, since I think
the default in VMD is to generate a DX file instead, regardless of the
file extension you give it. If I had to guess, you've just generated a
DX-formatted situs file, which the situs reader can't open. Have you
tried forcing VMD to load the file as a DX file?

Josh Vermaas

On 08/11/2015 10:19 AM, sunyeping wrote:
>
> Dear all,
>
>
> I am trying the MDFF tutorial. Following the first example of the
> tutorial In the first example of the tutorial
> (http://www.ks.uiuc.edu/Training/Tutorials/science/mdff/tutorial_mdff-html/node4.html),
> I loaded the protein molecule (4ake_target.pdb)and generate the psf
> file and then produced the map file (4AKE-target_autopsf.situs).
> However, I can not load this situs file into VMD. When I input "mol
> new 4AKE-target_autopsf.situs)" in VMD Tkconsole window, it returned
> "unable to load file '4AKE-target_autopsf.situs‘ using file type
> 'situs'. I have tried VMD-1.9.1 in Linux system and 1.9.2 in windows
> system, but the phenomena were the same. How might this error rose and
> how to resolve it? Thanks very much.
>
> Yeping Sun
>
> Institute of Microbiology, Chinese Academy of Sciences
>