[Chimera-users] problem with SAXS profile

[Tom Goddard]

Hi Stefan,

  The executable required to compute small-angle x-ray scattering (SAXS) 
profiles comes from Andrej Sali's lab at UCSF and is currently not 
distributed with Chimera due to licensing issues.  It is also not 
available directly from them for the same reason.  It will probably not 
be available for some months.  So I've taken the proto-type SAXS 
plotting tool out of the Chimera distribution.  I should not have 
included it in the daily builds.

  There are other SAXS profile calculation programs.  See for example CRYSOL

    http://www.embl-hamburg.de/ExternalInfo/Research/Sax/software.html

  Tom


-------- Original Message --------
Subject: [Chimera-users] problem with SAXS profile
From: Stefan Jehle
To: chimera-users
Date: 10/25/09 12:15 PM
> Hi,
>
>
> I have to finish very urgently a model of a big oligomer and the SAXS
> curve utility would be extremely helpfull for me if working properly.
> Here my problem:
>
>
> I get the following error message after pressing the "Profile" button:
>
>
> Wrote /var/folders/dP/dPWm0vEeFkG9xqa+tbipE++++TM/-Tmp-/tmprnvHi_.pdb
> Executing command:
> /Users/stefan/Downloads/Chimera.app/Contents/Resources/share/SAXS/ChimeraExtension.py
> /var/folders/dP/dPWm0vEeFkG9xqa+tbipE++++TM/-Tmp-/tmprnvHi_.pdb
> /Users/stefan/Documents/modelling/saxsprofile/abc30mer.dat
> Error 512 executing command
> "/Users/stefan/Downloads/Chimera.app/Contents/Resources/share/SAXS/ChimeraExtension.py
> /var/folders/dP/dPWm0vEeFkG9xqa+tbipE++++TM/-Tmp-/tmprnvHi_.pdb
> /Users/stefan/Documents/modelling/saxsprofile/abc30mer.dat"
>
>
>
>
> First I thought this may be because I have encrypted my cache (using
> MacOSX Leopard) but the same problem occurs using Win Vista or Windows
> XP or Windows Vista. I would appreciate your help, if you could provide
> me a saxs.py file working.
>
>
> Thanks a lot 
>
>
> Best Regards
>
>
> Stefan
>
>
>
> __________________________________
> Dr. Stefan Jehle
> Structural Biology Unit
> Leibniz Institute for Molecular Pharmacology, FMP
>