Re: [AMBER] Problems with AmberTools compilation under Debian

From: James Starlight <jmsstarlight.gmail.com>
Date: Mon, 31 Oct 2011 10:42:02 +0300

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
>>
>
>
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Received on Mon Oct 31 2011 - 01:00:02 PDT
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