Re: [AMBER] xleap as a molecular viewer 2

From: Paul Rigor <paul.rigor.uci.edu>
Date: Wed, 18 May 2011 11:43:03 -0700

I'm getting the same behavior. Although if I just provide "edit" without any
arguments, the correct error message is shown. I also added additional
commands like 'desc prot' in case there was some odd interpreter cache being
cleared. But perhaps the simplest answer is that xleap by design prevents
you from invoking GUI commands from an input file.

--
Paul Rigor
http://www.ics.uci.edu/~prigor
On Wed, May 18, 2011 at 1:06 AM, Guenegou, Guillaume [ORDFR] <
GGUENEGO.its.jnj.com> wrote:
> Dear all,
>
> I still have a problem with xleap. I
>
> My command is: $AMBHOME/exe/xleap -f leap.in
>
> leap.in =
> source leaprc.ff03.r1
> source leaprc.gaff
> prot = loadPdb file.pdb
> edit prot
>
> The goal is to launch the command and to open the viewer with it.
> But the viewer is not displayed. I have to print "edit prot" in the
> command-line interface.
> I do not understand why "edit prot" does not work in my input file.
>
> Is there anything I am doing wrong?
>
> Regards,
>
> G.GUENEGOU
>
>
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Received on Wed May 18 2011 - 12:00:04 PDT