Re: [ccp4bb] [COOT] CCP4 - Coot in Applications

2012-11-27 Thread Antony Oliver
Thanks Charles - that seems to work..!

Tony.

---
Dr Antony W Oliver
Senior Research Fellow
CR-UK DNA Repair Enzymes Group
Genome Damage and Stability Centre
Science Park Road
University of Sussex
Falmer, Brighton, BN1 9RQ

email: antony.oli...@sussex.ac.uk
tel (office): +44 (0)1273 678349
tel (lab): +44 (0)1273 677512

On Nov 26, 2012, at 10:19 AM, Charles Ballard wrote:

 You could give
 
 /Applications/coot.app/Contents/Resources/script
 
 a go.  
 
 Charles
 
 On 23 Nov 2012, at 12:20, Antony Oliver wrote:
 
 Forgive what may be a very simple question…
 
 I have recently installed coot using the very nice CCP4 .dmg (0.7.0-i386) - 
 which now puts coot into /Applications
 I now need to set a $PATH to coot, such that various scripts now 'know' 
 where it is (i.e. Phenix and BUSTER - sorry CCP4-ers).
 
 Here I have hit a hurdle.  Which binary file do I need to point a path 
 variable to?
 
 From terminal I can use the command ' open -a coot ' - everything works fine 
 and dandy.
 However, I cannot use ' /Applications/coot.app/Contents/MacOS/coot ' 
 reliably - sometimes it works, but most of the time it crashes with the 
 following errors...
 
 Nov 23 12:17:02 coot-real[80005] Error: kCGErrorIllegalArgument: 
 CGSGetSurfaceBounds
 Nov 23 12:17:02 coot-real[80005] Error: kCGErrorFailure: Set a breakpoint 
 @ CGErrorBreakpoint() to catch errors as they are logged.
 Nov 23 12:17:02 coot-real[80005] Error: kCGErrorIllegalArgument: 
 CGSBindSurface: Invalid window 0x8da
 Nov 23 12:17:02 coot-real[80005] Error: kCGErrorIllegalArgument: 
 CGSBindSurface: Invalid window 0x8da
 Nov 23 12:17:02 coot-real[80005] Error: kCGErrorIllegalArgument: 
 CGSBindSurface: Invalid window 0x8da
 
 Am I making a school-boy error here?
 
 With many thanks,
 
 Tony. 
 
 
 ---
 Dr Antony W Oliver
 Senior Research Fellow
 CR-UK DNA Repair Enzymes Group
 Genome Damage and Stability Centre
 Science Park Road
 University of Sussex
 Falmer, Brighton, BN1 9RQ
 
 email: antony.oli...@sussex.ac.uk
 tel (office): +44 (0)1273 678349
 tel (lab): +44 (0)1273 677512
 -
 
 
 -- 
 Scanned by iCritical.
 
 


[ccp4bb] Mg++ interactions

2012-11-27 Thread William G. Scott
Hi folks:

Are Mg++ ions ever observed to chelate primary amines?

Are there any examples in crystal structures?


Thanks.

-- Bill




William G. Scott
Professor
Department of Chemistry and Biochemistry
and The Center for the Molecular Biology of RNA
228 Sinsheimer Laboratories
University of California at Santa Cruz
Santa Cruz, California 95064
USA
 


[ccp4bb] Planar restraints in Refmac

2012-11-27 Thread Andrea Pica

Hi everybody!

Is there a simple way in REFMAC to restraints a group of atoms  
belonging to different residues to lay on a plane? Of course I would  
like to set the sigma!


Do I have to add any line in the PDB header? Is it that simple?

Thank you very much!

Andrea


Andrea Pica, Ph.D. student
University of Naples Federico II
Department of Chemical Sciences - Room 1N-04
Complesso Universitario Monte S. Angelo
Via Cintia
I-80126 Naples - Italy
Phone 39-081 674269
Fax 39-081 674090