Re: [COOT] buggy coot 0.6-pre-1 r2264 on OS X 10.4.11

2009-09-09 Thread Ed Pozharski
That may be because core dump is turned off (which is default on many
Linux distros).  If you are using bash, try ulimit -c to see if it's
the case (it'll return the maximum allowed core size).  To turn it on,
issue ulimit -c unlimited command.  For more details, see man
bash (not man ulimit as it is shell command).  It only affects the
current shell.

HTH,
Ed.

On Tue, 2009-09-08 at 19:12 -0700, Engin Ozkan wrote:
 That is actually a very reasonable request. Sorry for missing that. 
 However, this bug does not leave any core dumps anywhere I could find, 
 including in /cores.
 
 Engin
 
 On 9/8/09 10:58 AM, Paul Emsley wrote:
  Engin Ozkan wrote:
  Hi everybody,
 
  Using the revision 2283 on 10.5, I am seeing this whenever I am 
  closing the application:
 
  /sw/bin/coot: line 5: 19785 Segmentation fault  /sw/bin/coot-real 
  $@
 
  Yep, coot shuts down with a segmentation fault. I haven't tested most 
  functionality and it has not affected my use of coot yet, but I 
  assumed it might help to report it. This seems to be the same bug 
  observed by Christian on a 10.4 machine, because I get the similar 
  Preferences crash. Empty 0-coot.state.scm is also probably due to the 
  crash during exiting.
 
 
  Dear MacCoot-bug-finders,
 
  It would be very useful (making the difference between a bug being 
  probably not fixable to probably fixable) if you could send me the 
  core dump analysis of coot.
 
  Coot will leave a core dump in /cores - at least it does for me (look 
  for the latest one)
 
  $ gdb /sw/bin/coot-real /cores/cores.
  where
 
  send me that text output.
 
  Thanks,
 
  Paul
 
 
 
 
-- 


Re: [COOT] buggy coot 0.6-pre-1 r2264 on OS X 10.4.11

2009-09-09 Thread William G. Scott
I'm going to make a wild guess and suggest it is a python version  
mismatch.


If you open the python scripting window and type in

help()

what do you see in the console window?

I get this:


BL INFO:: command input is:  help()

Welcome to Python 2.6!  This is the online help utility.




On Sep 8, 2009, at 10:47 AM, Engin Ozkan wrote:


Hi everybody,

Using the revision 2283 on 10.5, I am seeing this whenever I am  
closing the application:


/sw/bin/coot: line 5: 19785 Segmentation fault  /sw/bin/coot- 
real $@


Yep, coot shuts down with a segmentation fault. I haven't tested  
most functionality and it has not affected my use of coot yet, but I  
assumed it might help to report it. This seems to be the same bug  
observed by Christian on a 10.4 machine, because I get the similar  
Preferences crash. Empty 0-coot.state.scm is also probably due to  
the crash during exiting.


Engin

On 9/8/09 7:14 AM, William G. Scott wrote:

Hi Christian:

I just committed coot 0.6-pre-1-revision-2283 to fink cvs.  It  
fixes a bug on 64-bit where the menu would freeze when  
superposition is invoked.  I suppose there is a 0.001 chance  
that it fixes the other problem too.  I have no way to test on 10.5  
intel (I still have 10.6) and haven't had direct access to 10.4 for  
a long time. This could be a problem with coot or with one of many  
of its ca. 230 dependencies.


From what I have read, you can upgrade directly to SL (US $30, UK  
£25), despite the propaganda on the box. I have ccp4 and coot and  
the other crystallographic fink things running all in 64-bit now.  
I'm hoping these will now pass the 70S ribosome test.


I hope this works in the meantime.

Bill



On Sep 8, 2009, at 5:08 AM, Christian Benda wrote:


Dear all,

we have updated coot to 0.6-pre-1 revision 2264 using fink on our  
Macs running 10.4.11

to be able to use zalman stereo.

Unfortunately it seems like this coot or the combination is not  
working correctly. So far,

there are two main issues:

1. coot freezes and closes down after selecting e.g. the  
preferences menue


2. coot writes an empty 0-coot.state.scm file no matter what's  
loaded into coot.


Any hints to what we can do? We really need the stereo and  
therefore revision 2225 or

higher

Many thanks in advance

Christian

Dr. Christian Benda
Max Planck Institute of Biochemistry
Structural Cell Biology

Am Klopferspitz 18
D-82152 Martinsried
Germany

Phone: +49 (0)89 85 78 23 37
Fax: +49 (0)89 85 78 22 19
Email: be...@biochem.mpg.de



--
Engin Özkan
Post-doctoral Scholar
Laboratory of K. Christopher Garcia
Howard Hughes Medical Institute
Dept of Molecular and Cellular Physiology
279 Campus Drive, Beckman Center B173
Stanford School of Medicine
Stanford, CA 94305
ph: (650)-498-7111


Re: [COOT] Coot and Zalman Stereo

2009-09-09 Thread Bernhard Lohkamp
ok, I enabled zalman stereo for gtk1 versions. This will be available
from revision 2289.

B

***

Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden

phone: (+46) 08-52487673
fax:   (+46) 08-327626
email: bernhard.lohk...@ki.se

- Original Message -
From: Paul Shaffer pshaf...@gmail.com
Date: Tuesday, September 8, 2009 7:06 pm
Subject: [COOT] Coot and Zalman Stereo
To: COOT@JISCMAIL.AC.UK

 Hi All,
 I recently acquired a Zalman 3D 22inch monitor with much 
 anticipation.  
 However, building the latest pre-release of Coot and invoking 
 zalman stereo 
 mode, it did not work.  There are two images being displayed, but 
 they are 
 both displayed on all 1050 lines rather than alterating even and 
 odd lines to 
 give the left and right eye images.  What I believe to be the 
 relevant facts 
 are these, the OS is RHEL3 with the latest nVidia linux drivers and 
 coot version 
 2283 built using the auto-building script for a gtk1 build with 
 python both 
 enabled or disabled.  The log files from compiling coot and the 
 numerous 
 dependancies looks ok without any obivous errors.  Any suggestions? 
 Is this a 
 product of an outdated OS?
 
 Thanks in advance,
 Paul
 


Re: [COOT] Coot and Zalman Stereo

2009-09-09 Thread Paul Shaffer
Thank you very much.  I will compile and try it out when available.

Cheers,
Paul

On Wed, Sep 9, 2009 at 11:03 AM, Bernhard Lohkamp bernhard.lohk...@ki.sewrote:


 ok, I enabled zalman stereo for gtk1 versions. This will be available
 from revision 2289.

 B

 ***

 Dr. Bernhard Lohkamp
 Assistant Professor
 Div. Molecular Structural Biology
 Dept. of Medical Biochemistry and Biophysics (MBB)
 Karolinska Institutet
 S-17177 Stockholm
 Sweden

 phone: (+46) 08-52487673
 fax:   (+46) 08-327626
 email: bernhard.lohk...@ki.se

 - Original Message -
 From: Paul Shaffer pshaf...@gmail.com
 Date: Tuesday, September 8, 2009 7:06 pm
 Subject: [COOT] Coot and Zalman Stereo
 To: COOT@JISCMAIL.AC.UK

   Hi All,
  I recently acquired a Zalman 3D 22inch monitor with much
  anticipation.
  However, building the latest pre-release of Coot and invoking
  zalman stereo
  mode, it did not work.  There are two images being displayed, but
  they are
  both displayed on all 1050 lines rather than alterating even and
  odd lines to
  give the left and right eye images.  What I believe to be the
  relevant facts
  are these, the OS is RHEL3 with the latest nVidia linux drivers and
  coot version
  2283 built using the auto-building script for a gtk1 build with
  python both
  enabled or disabled.  The log files from compiling coot and the
  numerous
  dependancies looks ok without any obivous errors.  Any suggestions?
  Is this a
  product of an outdated OS?
 
  Thanks in advance,
  Paul
 



Re: [COOT] Real space refine with hydrogens

2009-09-09 Thread Judit Debreczeni
2009/9/9 Arnaud Basle arnaud.ba...@ncl.ac.uk:
 Hi,

 I have a peptide structure at 0.92A and for the latest stage of refinement I
 would like to real space refine a Met residue including hydrogens. The H are
 flying away from their original position and density.

 I am using shelxl for refinement (.res and .ins format not pdb).

 I read from the coot mailing list archive that coot 0.4.1 was not able to do
 so (coot currently does not handle PDB V3 hydrogens. You need to tell
 reduce to write out old style hydrogens. This should take of this
 problem.).

 Is it still the case with the latest version of coot?



Well, yes and no.

Coot's been pdb v3 compliant for a while. This helps very little with
SHELX hydrogens though, as SHELX has a different convention for H
names. AFAICS, Met H atoms behave just fine (that's 0.6-pre (r2276) vs
SHELX-97-2). Other H atoms, e.g. those of Leu and Ile and the like are
somewhat more volatile. (The easiest is to ignore this and get them
HFIXed again in the next round of shelxing).

But hey, there are zillions of other reasons for upgrading to the
latest Coot (and a bleeding-edge OS... hmm).

JED.