Re: [AMBER] Problems with AmberTools compilation under Debian

From: James Starlight <jmsstarlight.gmail.com>
Date: Mon, 31 Oct 2011 16:23:56 +0300

Dan, hello!

I've installed xorg-dev by apt-get but my problem have not been solved (

Is there any other required packages?
May be I must add xorg-dex to path or something else?

Thanks for help,

James

2011/10/31 Daniel Roe <daniel.r.roe.gmail.com>

> Hi,
>
> The xleap part of the configure script is a little confusing and the
> error message is a little misleading. It's not enough to have the
> libraries installed, you need the development headers as well; this is
> implied by the package names but not clearly stated.
>
> I believe on debian you need to make sure that the package "xorg-dev"
> is installed. After that configure should work properly.
>
> -Dan
>
> On Mon, Oct 31, 2011 at 3:42 AM, James Starlight <jmsstarlight.gmail.com>
> wrote:
> > I've found why xleap have not been installed by I could not dix this
> problem
> >
> > during configure I've found that
> >
> > Could not find the X11 libraries; you may need to edit config.h
> > to set the XHOME and XLIBS variables.
> > Warning: the X11 libraries are not in the usual location !
> > To search for them try the command: locate libXt
> > On new Fedora OS's install the libXt-devel libXext-devel
> > libX11-devel libICE-devel libSM-devel packages.
> > On old Fedora OS's install the xorg-x11-devel package.
> > On RedHat OS's install the XFree86-devel package.
> > On Ubuntu OS's install the xorg-dev package.
> > For the moment Amber will be configured not to build XLEaP.
> >
> > I've located my Xlibs
> > own.own ~/Desktop $ locate libXt
> > /usr/lib/libXtst.so.6
> > /usr/lib/libXtst.so.6.1.0
> > /usr/lib/i386-linux-gnu/libXt.a
> > /usr/lib/i386-linux-gnu/libXt.so
> > /usr/lib/i386-linux-gnu/libXt.so.6
> > /usr/lib/i386-linux-gnu/libXt.so.6.0.0
> >
> > and that add them to path by
> > export XLIBS=/usr/lib/i386-linux-gnu/
> > export PATH=$XLIBS:$PATH
> >
> > but It could not solve that problem
> >
> > how I could add this values to the configure script directly?
> >
> >
> >
> > 2011/10/30 James Starlight <jmsstarlight.gmail.com>
> >
> >> Hi, Dan!
> >>
> >> Thank you for your responce
> >>
> >> but I stil have problems with xleap :)
> >> I've compiled AmberTools with default options listened in manual but
> xleap
> >> have not been installed ( it present only in the scr ). There is only
> shell
> >> version tleap.
> >>
> >> What should I do to install xleap in the alrady built ambertools?
> >>
> >> James
> >>
> >> 2011/10/30 Daniel Roe <daniel.r.roe.gmail.com>
> >>
> >>> Hi,
> >>>
> >>> http://ambermd.org/tutorials/
> >>>
> >>> Particularly tutorial B1 should help you get started.
> >>>
> >>> On Sun, Oct 30, 2011 at 3:45 AM, James Starlight <
> jmsstarlight.gmail.com>
> >>> wrote:
> >>> > Also It's not quite understand for me how properly run different
> amber
> >>> > tools programs.
> >>> >
> >>> > E..g from subdirectory /own/Documents/amber11/AmberTools/bin
> >>> > I can run all programs but from another directory that programs are
> not
> >>> > aviable ( I've add the Bin to the path but it didnt work )
> >>>
> >>> For AmberTools to work properly you need to both set the environment
> >>> variable AMBERHOME and add $AMBERHOME/bin to your path. For bash this
> >>> is:
> >>>
> >>> export AMBERHOME=/own/Documents/amber11
> >>> export PATH=$AMBERHOME/bin:$PATH
> >>>
> >>> For tcsh/csh this is:
> >>>
> >>> setenv AMBERHOME /own/Documents/amber11
> >>> setenv PATH $AMBERHOME/bin:$PATH
> >>>
> >>> > Finally as I understood LEAP have GUI. How I can run this one ?
> >>>
> >>> Use xleap. To view the molecule once you've created/loaded it, use the
> >>> 'edit' command, e.g.:
> >>>
> >>> source leaprc.ff10
> >>> m = loadpdb mypdb.pdb
> >>> edit m
> >>>
> >>> See the AmberTools manual for more details. One note: due to a small
> >>> bug in xleap make sure NUMLOCK is off in order to properly access the
> >>> menus. Good luck!
> >>>
> >>> -Dan
> >>>
> >>>
> >>> --
> >>> -------------------------
> >>> Daniel R. Roe, PhD
> >>> Postdoctoral Associate
> >>> BioMaPS Institute, Rutgers University
> >>> 610 Taylor Road
> >>> Piscataway, NJ 08854
> >>>
> >>> _______________________________________________
> >>> AMBER mailing list
> >>> AMBER.ambermd.org
> >>> http://lists.ambermd.org/mailman/listinfo/amber
> >>>
> >>
> >>
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Postdoctoral Associate
> BioMaPS Institute, Rutgers University
> 610 Taylor Road
> Piscataway, NJ 08854
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Mon Oct 31 2011 - 06:30:03 PDT
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