VMD-L Mailing List

From: Christopher MacDermaid (chris.macdermaid_at_gmail.com)
Date: Thu May 09 2013 - 10:36:54 CDT

Also a good option. Thank you.

On Thu, May 9, 2013 at 10:52 AM, Mayne, Christopher G
<cmayne2_at_illinois.edu>wrote:

> try:
>
> file normalize [mol info top get filename]
>
> Christopher Mayne
>
> On May 9, 2013, at 8:30 AM, Christopher MacDermaid wrote:
>
> > Hello,
> >
> > When calling "molinfo top get filename", the filename returned is
> different depending on the method in which I choose to load the molecule.
> >
> > If I use the file browser dialogue, molinfo returns the absolute path,
> however if I use the console with "mol new" it returns the relative path:
> >
> > vmd> mol new ../../../../test/test.pdb
> >
> > vmd > molinfo top get filename
> > ../../../../test/test.pdb
> >
> > detrimental in the event that I want to reload the molecule like so and
> if I've changed working directories...
> >
> > proc reload { mol } {
> > lassign {*}[molinfo $mol get filename] psf dcd
> > mol delete $mol
> > mol new $psf type psf waitfor all
> > mol addfile $dcd waitfor all
> > }
> >
> > Can this be fixed such that "mol new" will set the correct file name to
> one that is the absolute path of the loaded files. I realize this may
> present complications since mol new can be used to create an empty
> molecule, but the behavior regarding the file names is rather unexpected.
> >
> > Thanks!
> >
> > Dr. Chris MacDermaid, Postdoctoral Fellow
> > Institute for Computational Molecular Science
> > Temple University, Philadelphia, PA
> >
>
> 

-- 
--
C
Dr. Chris MacDermaid, Postdoctoral Fellow
Institute for Computational Molecular Science
Temple University, Philadelphia, PA