RE: [PyMOL] Ray Tracing Crash

2004-01-21 Thread Warren L. DeLano
Morri,

The RH9 Patch is described and published on: 

https://rhn.redhat.com/errata/RHBA-2003-136.html

I would not expect Debian to suffer from the same crash.  If it does,
then we may be dealing with a genuine bug in PyMOL (assuming that you're
not simply running out of RAM).

With respect to Debian, in order to debug the problem, you might want to
send me a PyMOL session file which crashes on your system when the next
command issued is ray.  

Cheers,
Warren

--
mailto:war...@delanoscientific.com
Warren L. DeLano, Ph.D.
Principal Scientist
DeLano Scientific LLC
Voice (650)-346-1154 
Fax   (650)-593-4020

 -Original Message-
 From: Morri Feldman [mailto:morrifeld...@yahoo.com]
 Sent: Tuesday, January 20, 2004 10:36 PM
 To: Warren L. DeLano; 'Matt Franklin'; 'Morri Feldman'
 Cc: 'pymol-users'
 Subject: RE: [PyMOL] Ray Tracing Crash
 
 Warren and Matt,
 
 Thanks so much for your help.  I must be using the
 stock glibc because set max_threads, 1 allows me to
 ray trace without crashing.  I will tell my system
 administrator to patch glibc.  Do you know where I
 should look for the patch?
 
 My debian/testing system at home also has trouble ray
 tracing especially sticks.  When it fails I get a
 segmentation fault.  Is my problem at home also due to
 an unpatched glibc?
 
 The error message is:
 /usr/bin/pymol: line 7: 32460 Segmentation fault
 python
 /usr/lib/python2.3/site-packages/pymol/__init__.py $*
 
 Thanks for creating such a great program,
 Morri
 
 --- Warren L. DeLano war...@delanoscientific.com
 wrote:
  Morri,
 
  (First, thanks Matt for the great diagnostic
  advice!)
 
  This sounds to me like a potential threading
  deadlock, possible
  due to the broken threading in RedHat 9.  Are you
  using the stock
  version or have you patched glibc?
 
  If you haven't patched your RedHat 9, then one way
  to be sure
  this is the problem is to set max_threads, 1
  before issuing the ray
  command.  If PyMOL doesn't hang, then you've found
  the culprit.
 
  If have already patched your RH9, then let's do
  some more work
  to determine what's going on...
 
  Cheers,
  Warren
 
  --
  mailto:war...@delanoscientific.com
  Warren L. DeLano, Ph.D.
  Principal Scientist
  DeLano Scientific LLC
  Voice (650)-346-1154
  Fax   (650)-593-4020
 
   -Original Message-
   From: pymol-users-ad...@lists.sourceforge.net
  [mailto:pymol-users-
   ad...@lists.sourceforge.net] On Behalf Of Matt
  Franklin
   Sent: Tuesday, January 20, 2004 6:25 PM
   To: Morri Feldman
   Cc: pymol-users
   Subject: Re: [PyMOL] Ray Tracing Crash
  
   Morri Feldman wrote:
I am running pymol .93.  When I try to ray trace
  a scene, the gui
  shows
   a
white status bar that moves halfway across the
  screen and then
  freezes.
After this the GUI is frozen and must be killed.
   No error messages
  are
shown.  The computer is running RedHat 9 and has
  4 processors.  Has
anyone else experienced this problem?  Do you
  have any solutions?
   
This message may double post because I
  accidentally tried to post it
   from
my other email account.  Sorry
   
Thanks, Morri
   
Morri Feldman
   
  
   Hi Morri -
  
   The progress bar for raytracing doesn't move
  linearly - the first half
   of the bar is covered fairly quickly, then more
  slowly, then very
   slowly, then the last fifth is usually covered in
  one jump.  Are you
   sure you just aren't being impatient?  Try
  raytracing a very simple
   scene, like a single amino acid in spheres mode,
  to see if it hangs
   then.  Also try raytracing parts of your scene in
  case some funny bit
  of
   your molecule is causing this problem.  Finally,
  try reducing the
   complexity of your surfaces and/or spheres: set
  surface_quality, -1
  (0
   is the default).
  
   Feel free to contact me directly - I'm local!
  (Although Warren will
  be
   more helpful...)
  
   - Matt
  
  
   --
   Matthew FranklinPhone:(650)225-4596
   Postdoctoral Researcher   Fax:(650)225-3734
   Genentech, Inc.
   1 DNA Way, South San Francisco, CA 94080
  
  
  
  
 
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Re: [PyMOL] Ray Tracing Crash

2004-01-21 Thread Michael Banck
On Tue, Jan 20, 2004 at 10:52:17PM -0800, Morri Feldman wrote:
 My debian/testing system at home also has trouble ray
 tracing, especially with sticks.  When it fails I get a
 segmentation fault.  

What architecture are you running on? i386 or something else?

Do you use pymol's internal raytracer, or povray?

 Is my problem at home also due to an unpatched glibc?

glibc in debian/testing should be fairly recent. Perhaps it suffers from
a different bug, but the one described earlier should be fixed by now,
if it ever pertained to Debian.

 The error message is:
 /usr/bin/pymol: line 7: 32460 Segmentation fault 
 python
 /usr/lib/python2.3/site-packages/pymol/__init__.py $*

As Warren said, a detailed description of the scene you were trying to
raytrace would be welcomed.


Michael



[PyMOL] How to send pymol command to pymol by python interpreter

2004-01-21 Thread Takefumi Sora
Dear Pymol users

I launch Pymol in my python program.
After that, I can't change objects in pymol in my
python program. In short I do not know how to
send pymol command (ex cmd.do(show cartoon)) to 
Pymol not by directly input in pymol external command line 
but by python interpreter.

Does anybody know how to do this ?

Thank you.
Takefumi SORA




[PyMOL] Re: Problems with PyMOL + XIG Summit2.2

2004-01-21 Thread Michael Ginis
Warren,

XiG would like to know what is happening with PyMOL and Accelerated-X.
We are not experts with PyMOL so we may need help reproducing the
problem.

WLDWhat numeric version of Summit are you using?
WLDWhat Summit series do you have (LX, DX, CX, WX, etc.)?
WLDWhat operating system, distro, and version are you running?

Most of this information can be generated by running the 'Xsupport'
script and sending the the output.  For instance send the file
'xsupport.txt' that is made by running the command:

  # /usr/X11R6/lib/X11/AcceleratedX/bin/Xsupport  xsupport.txt

This output also contains other information that we might need to
reproduce the problem here.

What GL render mode does PyMOL use while picking objects?

Sincerely,

--
Mike Ginis
mgi...@xig.com
http://www.xig.com


On Wed, 21 Jan 2004, Warren L. DeLano wrote:

WLDPyMOL Users,
WLD
WLDIt appears that some PyMOL users are having trouble with Xi
WLDGraphics' Summit line of OpenGL graphics drivers, version 2.2.
WLD
WLDAtom picking (which uses glReadPixels with color-encoded pixel
WLDbuffers) fails with these drivers.  It's unclear right now whether
WLDthe problem is due to the XiG OpenGL implementation or with the
WLDdefault keyboard modifier event mapping.
WLD
WLDIf you are both a PyMOL and Summit user (any version), please help by
WLDresponding to me directly with information about:
WLD
WLDWhat numeric version of Summit are you using?
WLDWhat Summit series do you have (LX, DX, CX, WX, etc.)?
WLDWhat operating system, distro, and version are you running?
WLDDoes atom picking and mouse selection work for you in PyMOL?
WLDDoes PyMOL work fine under XFree86 with the identical hardware setup?
WLD
WLDOnce we understand the extent of the problem, we'll try to set up our
WLDown Summit install here and then track down the problem...
WLD
WLDCheers,
WLDWarren
WLD
WLD--
WLDmailto:war...@delanoscientific.com
WLDWarren L. DeLano, Ph.D.
WLDPrincipal Scientist
WLDDeLano Scientific LLC
WLDVoice (650)-346-1154
WLDFax   (650)-593-4020
WLD
WLD -Original Message-
WLD From: Dr. Daniel James White PhD [mailto:d...@chalkie.org.uk]
WLD Sent: Wednesday, January 21, 2004 1:20 AM
WLD To: t.gran...@ubs.u-bordeaux1.fr; Warren L. DeLano
WLD Subject: pymol, with summit2.2 Xserver on linux
WLD
WLD Hi,
WLD
WLD I get this problem also.
WLD I fear is the the summit Xserver niot handling mouse events properly
WLDor
WLD something.
WLD My mouse is a ps2 logitech with a scroll wheel button.
WLD I can't do ctrl-click operations.
WLD
WLD Have you also noticed that your sound does not work with summit, but
WLD does with XFree86?
WLD
WLD   cheers
WLD
WLD Dan
WLD
WLD
WLD Message: 1
WLD From: Warren L. DeLano war...@delanoscientific.com
WLD To: 'Thierry Granier' t.gran...@ubs.u-bordeaux1.fr,
WLD pymol-users@lists.sourceforge.net
WLD Subject: RE: [PyMOL] mouse
WLD Date: Fri, 16 Jan 2004 08:12:42 -0800
WLD
WLD Thierry,
WLD
WLD This behavior could be the symptom of either malfunctioning OpenGL, or
WLDa
WLD screen with two few colors to support color-encoded picking (which is
WLD what PyMOL uses behind the scenes).
WLD
WLD Please confirm that your display is running in 24 or 32 bit color.  If
WLD that is the case and picking still fails, then please try saving a png
WLD file of what you see on the screen (png filename.png).  If that PNG
WLD file exhibits any distortion or artifacts, then that's the cause of
WLDthe
WLD problems.  Otherwise, PyMOL may have a bug...
WLD
WLD Cheers,
WLD Warren
WLD
WLD
WLD --
WLD mailto:war...@delanoscientific.com
WLD Warren L. DeLano, Ph.D.
WLD Principal Scientist
WLD DeLano Scientific LLC
WLD Voice (650)-346-1154
WLD Fax   (650)-593-4020
WLD
WLD  -Original Message-
WLD  From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-
WLD  ad...@lists.sourceforge.net] On Behalf Of Thierry Granier
WLD  Sent: Friday, January 16, 2004 12:52 AM
WLD  To: pymol-users@lists.sourceforge.net
WLD  Subject: [PyMOL] mouse
WLD 
WLD  Good morning,
WLD 
WLD  I am trying to use pymol on a PC linux RedHat 9.0 using
WLD  the software summit 2.2 of Xig, and I run into the following
WLD  problem:
WLD  after loading a molecule, when I try to click on an atom, for
WLD selection,
WLD  using
WLD  CTRL shif lb or CTRL shift lb, I get the message
WLD  no atom found nearby
WLD 
WLD  I have tried all the mouse settings from the gui with no success.
WLD 
WLD  Any help will be appreciated,
WLD  thank you
WLD 
WLD  Thierry Granier.
WLD 
WLD 
WLD 
WLD 
WLD  ---
WLD  The SF.Net email is sponsored by EclipseCon 2004
WLD  Premiere Conference on Open Tools Development and Integration
WLD  See the breadth of Eclipse activity. February 3-5 in Anaheim, CA.
WLD  http://www.eclipsecon.org/osdn
WLD  ___
WLD  PyMOL-users mailing list
WLD  PyMOL-users@lists.sourceforge.net
WLD  

[PyMOL] c-alpha traces

2004-01-21 Thread Michal Kurowski
Hi,

Some structure comparison software is only able to generate alignments
built of c-alpha atoms of both structures compared.

Is Pymol able to visualize such alignment with (faked) backbone
shown ?

If not what could possibly show it ?

Regards,


-- 
Michal Kurowski
mic...@genesilico.pl





[PyMOL] translucent proteins

2004-01-21 Thread Lesley Debono
I would like to be able to make the backbone protein in a structure 
translucent so that the active site is clearly visible through the 
protein. Any ideas on how to do this?


Lesley




RE: [PyMOL] How to send pymol command to pymol by python interpreter

2004-01-21 Thread Takefumi Sora
Hi.

I appreciate your answer, Warren.
Thank you.

Please let me ask one more question.

You said I need two lines first:
import pymol
pymol.finish_launching()

As long as I use,I can't the role of 
pymol.finish_launching()
if I don't call this, what troubles will happen ?

Takefumi SORA