Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-31 Thread Damian Niegowski
Choosing one of the desired program/instance windows and pressing F10 is 
probably the most simple way. F10 will show you all windows open
accosiated with the one you choose.


Damian Niegowski Ph.D.
Institute of Medical Biochemistry and Biophysics
Karolinska Institutet
Scheeles väg 2
171 77 STOCKHOLM
e-mail: damian.niegow...@ki.se
phone: 0046 8 524 876 33
fax: 0046 8 736 04 39

On Oct 31, 2012, at 10:13 AM, Miguel Ortiz Lombardía wrote:

 Le 30/10/12 20:28, Jason Busby a écrit :
 Another work-around is to use the command-tilde (⌘ + ~) keystroke.  That 
 will cycle through all the windows of the current program.
 
 Jason.
 
 --
 Jason Busby
 PhD Student
 Laboratory of Structural Biology
 School of Biological Sciences
 University of Auckland
 Thomas Building 110
 3a Symonds St
 Private Bag 92019
 Auckland  1142
 New Zealand
 
 ph:  +64 9 3737599 ext 84155
 fx:  +64 9 3737414
 
 On 31/10/2012, at 4:58 AM, Damian Niegowski wrote:
 
 If you choose to use the excellent Mac OSX feature Exposé and Active screen 
 corners this becomes
 less of a problem.
 
 
 Damian Niegowski Ph.D.
 Institute of Medical Biochemistry and Biophysics
 Karolinska Institutet
 Scheeles väg 2
 171 77 STOCKHOLM
 e-mail: damian.niegow...@ki.se
 phone: 0046 8 524 876 33
 fax: 0046 8 736 04 39
 
 On Oct 30, 2012, at 4:32 PM, Eike Schulz wrote:
 
 Dear Coot-users,
 
 I am running Coot-0.7 on OSX 10.6.8. Installation from the 'Scott'-package
 was no problem at all ­ it runs very smoothly.
 
 However, whenever I want to save the coordinates the saving dialog open
 -behind- the main window. To be more precise: the coordinate molecule
 selector opens in front of it but the -file name selector- opens behind
 the main window. This is over the time a bit frustrating when you have to
 minimize/move the main window every time you want to save your structure.
 
 Does it happen to others as well, or is this specific to my system? If its
 possible, how could it be changed to open in front of the main window?
 

Best regards
 
Eike
 
 
 
 
 Hi,
 
 I don't know for your osx version (mine is 10.6.8) but the short-cut I
 know is command-grave accent (⌘ + `). One problem with this is that osx
 considers all X11-based applications to be a single X11 application, so
 it can take a while until you reach the window you want if you have
 other X11-based applications open. Another problem is that, contrary to
 what you have in aqua-based applications, the X11 windows don't cycle.
 Apple developers have known about these issues for a long, long time.
 Perhaps they solved them in more recent versions of osx.
 
 Best regards,
 
 -- 
 Miguel
 
 Architecture et Fonction des Macromolécules Biologiques (UMR7257)
 CNRS, Aix-Marseille Université
 Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
 Tel: +33(0) 491 82 55 93
 Fax: +33(0) 491 26 67 20
 mailto:miguel.ortiz-lombar...@afmb.univ-mrs.fr
 http://w2.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia



Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-31 Thread Damian Niegowski
On OSX 10.6.8.(Show Leopard) which was the system in question this option 
exist, but you are right, the key used might be different.


Damian Niegowski Ph.D.
Institute of Medical Biochemistry and Biophysics
Karolinska Institutet
Scheeles väg 2
171 77 STOCKHOLM
e-mail: damian.niegow...@ki.se
phone: 0046 8 524 876 33
fax: 0046 8 736 04 39

On Oct 31, 2012, at 10:38 AM, Antony Oliver wrote:

 Unfortunately, that very much depends on which OSX you are running (Leopard, 
 Snow Leopard, Lion, Mountain Lion) and which keyboard you have…!
 
 On my keyboard it's F3 and not F10. 
 
 T.
 
 
 ---
 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 Oct 31, 2012, at 9:30 AM, Damian Niegowski wrote:
 
 Choosing one of the desired program/instance windows and pressing F10 is 
 probably the most simple way. F10 will show you all windows open
 accosiated with the one you choose.
 
 
 Damian Niegowski Ph.D.
 Institute of Medical Biochemistry and Biophysics
 Karolinska Institutet
 Scheeles väg 2
 171 77 STOCKHOLM 
 e-mail: damian.niegow...@ki.se
 phone: 0046 8 524 876 33
 fax: 0046 8 736 04 39
 
 On Oct 31, 2012, at 10:13 AM, Miguel Ortiz Lombardía wrote:
 
 Le 30/10/12 20:28, Jason Busby a écrit :
 Another work-around is to use the command-tilde (⌘ + ~) keystroke.  That 
 will cycle through all the windows of the current program.
 
 Jason.
 
 --
 Jason Busby
 PhD Student
 Laboratory of Structural Biology
 School of Biological Sciences
 University of Auckland
 Thomas Building 110
 3a Symonds St
 Private Bag 92019
 Auckland  1142
 New Zealand
 
 ph:  +64 9 3737599 ext 84155
 fx:  +64 9 3737414
 
 On 31/10/2012, at 4:58 AM, Damian Niegowski wrote:
 
 If you choose to use the excellent Mac OSX feature Exposé and Active 
 screen corners this becomes
 less of a problem.
 
 
 Damian Niegowski Ph.D.
 Institute of Medical Biochemistry and Biophysics
 Karolinska Institutet
 Scheeles väg 2
 171 77 STOCKHOLM  
 e-mail: damian.niegow...@ki.se
 phone: 0046 8 524 876 33
 fax: 0046 8 736 04 39
 
 On Oct 30, 2012, at 4:32 PM, Eike Schulz wrote:
 
 Dear Coot-users,
 
 I am running Coot-0.7 on OSX 10.6.8. Installation from the 
 'Scott'-package
 was no problem at all ­ it runs very smoothly.
 
 However, whenever I want to save the coordinates the saving dialog open
 -behind- the main window. To be more precise: the coordinate molecule
 selector opens in front of it but the -file name selector- opens behind
 the main window. This is over the time a bit frustrating when you have to
 minimize/move the main window every time you want to save your structure.
 
 Does it happen to others as well, or is this specific to my system? If 
 its
 possible, how could it be changed to open in front of the main window?
 
  
  Best regards
 
  Eike
 
 
 
 
 Hi,
 
 I don't know for your osx version (mine is 10.6.8) but the short-cut I
 know is command-grave accent (⌘ + `). One problem with this is that osx
 considers all X11-based applications to be a single X11 application, so
 it can take a while until you reach the window you want if you have
 other X11-based applications open. Another problem is that, contrary to
 what you have in aqua-based applications, the X11 windows don't cycle.
 Apple developers have known about these issues for a long, long time.
 Perhaps they solved them in more recent versions of osx.
 
 Best regards,
 
 -- 
 Miguel
 
 Architecture et Fonction des Macromolécules Biologiques (UMR7257)
 CNRS, Aix-Marseille Université
 Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
 Tel: +33(0) 491 82 55 93
 Fax: +33(0) 491 26 67 20
 mailto:miguel.ortiz-lombar...@afmb.univ-mrs.fr
 http://w2.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
 
 



Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-10-30 Thread Damian Niegowski
If you choose to use the excellent Mac OSX feature Exposé and Active screen 
corners this becomes
less of a problem.


Damian Niegowski Ph.D.
Institute of Medical Biochemistry and Biophysics
Karolinska Institutet
Scheeles väg 2
171 77 STOCKHOLM
e-mail: damian.niegow...@ki.se
phone: 0046 8 524 876 33
fax: 0046 8 736 04 39

On Oct 30, 2012, at 4:32 PM, Eike Schulz wrote:

 Dear Coot-users,
 
 I am running Coot-0.7 on OSX 10.6.8. Installation from the 'Scott'-package
 was no problem at all ­ it runs very smoothly.
 
 However, whenever I want to save the coordinates the saving dialog open
 -behind- the main window. To be more precise: the coordinate molecule
 selector opens in front of it but the -file name selector- opens behind
 the main window. This is over the time a bit frustrating when you have to
 minimize/move the main window every time you want to save your structure.
 
 Does it happen to others as well, or is this specific to my system? If its
 possible, how could it be changed to open in front of the main window?
 
   
   Best regards
 
   Eike
 
 


[ccp4bb] refinement of ligands

2012-07-30 Thread Damian Niegowski
Dear  all,

I am currently trying to refine co-crystallized  ligand structures at 2.8-3.4 Å 
resolution. After initial molecular replacement the density in the maps, both 
2Fo-Fc and Fo-Fc looks good and the ligand seams to have
bound. However after running Refmac directly on the output files the maps get 
much worse. I am  using a clean pdb, without ligand or water for the Phaser 
and subsequent Refmac runs.
Also when refining with the ligand in the B factors are a lot higher for the 
ligand then the surrounding residues, only when lowering the occupancy to 
0.7-0.8 for the ligand the B factors look
better. Is that acceptable to do at this resolution? R-free is in the 0.24-0.27 
range. There is only a marginal change in R-free with the addition of ligand. 
TLS refinement seams to help alot for overall
R values but does not improve the maps. I have also tried Phenix with simulated 
annealing, rigid body and reference structures.
So the question is how best to proceed with refinement at the rather low 
resolution??

Regards, 

Damian

Damian Niegowski Ph.D.
Institute of Medical Biochemistry and Biophysics
Karolinska Institutet
Scheeles väg 2
171 77 STOCKHOLM
e-mail: damian.niegow...@ki.se
phone: 0046 8 524 876 33
fax: 0046 8 736 04 39