Hi Dave,
I am slightly confused what you are actually doing. What do you mean by
'go to Libcheck to import a GOL'? The error message you get comes when
you open the 'Find Ligand' dialog and a map, protein, and/or ligand is
missing. There should be a more detailed message in the console output
(not just the statusbar) and actually a warning dialog if the ligand is
missing (maybe hidden somewhere). Anyway before you can let Coot find a
ligand you need to import it (use e.g. 'Get Monomer' or for solvent
molecules Extension->Modelling->Add Other Solvent Molecule).
Hope this helps you a bit further,
B
I'm running the version of coot as obtained from the ccp4.ac.uk
website last week, using OSX 10.5.8
My problem is this - I have what appear to be bound, ordered glycerols
in my maps - I want to import "GOL" and use the Ligand fitting
routines to help with this. I know I could do this "by hand" - but
COOT looks like it has some rather nice features to do what I want
with minimal fuss.
I have added the fix to the COOT script in the launcher (getting it to
source the ccp4.setup file) and COOT reports it can now find libcheck
in the "get monomer" window.
However, when I go to Libcheck to import a GOL, I get "problem finding
maps, coords or ligands" reported in the message bar, and nothing
happens.
Help!
Dave
============================
David C. Briggs PhD
Father, Structural Biologist and Sceptic
============================
University of Manchester E-mail:
david.c.bri...@manchester.ac.uk
============================
http://manchester.academia.edu/DavidBriggs (v.sensible)
http://xtaldave.wordpress.com/ (sensible)
http://xtaldave.posterous.com/ (less sensible)
Twitter: @xtaldave
Skype: DocDCB
============================
--
***************************************************
Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
email: bernhard.lohk...@ki.se
