[PyMOL] freeglut (pymol): Unable to create direct context rendering for window 'PyMOL Viewer'

2011-12-08 Thread grantaka36
Hi Thomas and all,

I branched the thread from the original:
http://sourceforge.net/mailarchive/message.php?msg_id=28507590

 After PyMOL running, console says:
 freeglut (pymol): Unable to create direct context rendering for window 
 'PyMOL Viewer'
 but I will try to check and contact here as another issue if not succeeded.
KB-order .mol2 can be opened, but some large (MB-order) .pdb cannot
and shutdown with 'abrupt termination.'

 glxinfo | grep direct
direct rendering: No
 do you have a graphics driver with direct rendering support installed?
No. I think firmly caused by lack of graphic driver.
http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg05060.html

 OpenGL graphics engine:
  GL_VENDOR: Intel
  GL_RENDERER: Intel 945G
  GL_VERSION: 1.2 (1.4.0 - Build 4.14.10.4543)

Have anyone experienced some workaround for above driver? (Might be
fit the following, but I cannot find how to install appropriate one)
http://intellinuxgraphics.org/download.html

Regards,
Masataka

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[PyMOL] Context sensitive mutation wizard

2011-12-08 Thread Martin Hediger
Dear PyMOL List
I'm frequently using the PyMOL mutagenesis wizard. Consider the mutation 
of tryptophan to phenylalanin. If the sidechain is mutated from W to F, 
its reasonable to assume that the plane of the phenyl moiety of F 
would/should/could/might lie in the same plane as the indol part of the 
W if there was such a protein.
Would it be possible to scriptically adjust the F side chain, after 
mutation, such that it lies in the W plane?
Of course, this becomes ambiguous when, say, a A is mutated to a D, 
because what would then be the reference for the D side chain? However, 
N to D would be another case, where it would be desired to have the D 
end group be in as much overlay with the former N end group as possible.

Any ideas on how this might be afforded? Probably not a one-liner though.

Kind regards
Martin

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Re: [PyMOL] Context sensitive mutation wizard

2011-12-08 Thread Troels Emtekær Linnet
Can this plugin solve it:
http://www.pymolwiki.org/index.php/Rotamer_Toggle

Note, that you have to collect the script yourself, and replace
the original pymol menu.py file.

Not a easy solution to problem.

Note, it the script: http://www.pymolwiki.org/index.php/Rotkit
You can mutate through a command line, and selecting which
rotamer to use. But that would not solve your problem of specifying which
plane
to select.
In http://www.pymolwiki.org/index.php/Propka#Mutagenesis_analysis
are some more examples of mutating in PyMOL and get the pKa
for the mutations.

Best
Troels


2011/12/8 Martin Hediger ma@bluewin.ch

 Dear PyMOL List
 I'm frequently using the PyMOL mutagenesis wizard. Consider the mutation
 of tryptophan to phenylalanin. If the sidechain is mutated from W to F,
 its reasonable to assume that the plane of the phenyl moiety of F
 would/should/could/might lie in the same plane as the indol part of the
 W if there was such a protein.
 Would it be possible to scriptically adjust the F side chain, after
 mutation, such that it lies in the W plane?
 Of course, this becomes ambiguous when, say, a A is mutated to a D,
 because what would then be the reference for the D side chain? However,
 N to D would be another case, where it would be desired to have the D
 end group be in as much overlay with the former N end group as possible.

 Any ideas on how this might be afforded? Probably not a one-liner though.

 Kind regards
 Martin


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[PyMOL] Intel Video Drivers for Windows

2011-12-08 Thread Jason Vertrees
Greetings,

I learned a little more about Intel video drivers for Windows
yesterday and wanted to share the news with the community.

First, there is a difference between Intel Graphics and Intel HD
Graphics and their other mobile chipsets. It is important that you
choose the correct driver for your device. Yesterday, a user
downloaded the wrong driver (he downloaded the non-HD version) and
PyMOL had some issues. A few minutes later, when he installed the
correct HD version of his driver, all issues went away.

Second, always try to use the latest driver. PyMOL v1.4 and later need
a driver that can render GLSL 1.2 or later. The old Intel drivers had
GLSL 1.10 capabilities. The new drivers were updated to GLSL 1.3.

Next, try to stay away from these Intel mobile video cards if you can.
First, they're notoriously problematic. Second, they don't even have
their own video memory--they use system RAM. Third, Intel is extremely
unsupportive when it comes to driver feedback and community
involvement.

Last, the latest Intel Mobile drivers were updated a few months ago
(Sept--Nov) so if you haven't you might consider upgrading.

Hope this helps.

Cheers,

-- Jason

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[PyMOL] Creating Temporary Atoms

2011-12-08 Thread George Kvaratskhelia
Hi PyMol users,

I'm new to pymol and was wondering if there was a way of creating temporary
atoms that can be used to create distance objects? Or if there was a way of
creating distance objects between two positions in space without creating a
temporary atom? I'm writing a function file and this file is measuring
distances between groups or sets of atoms and a distance object would make
it much easier for a user to see where the group distances are measured
from. Since I'm writing the function in python a command written way of
producing this distance object is necessary and is much appreciated.


-George Kvaratskhelia
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[PyMOL] Graphical Problems

2011-12-08 Thread Julian Zachmann
Dear Pymol-Users,

I have a rather strange error. I can open pymol without having any problems
or warnings.
But when I'm looking at a protein then - especially when it is in cartoon
mode, and even more when i move it around a lot - it is getting more and
more blurry and it seems as if there are many small black spots on my
protein. When I have more proteins aligned in different colors then I also
see spots in the different colors on the protein. Has this problem occured
to anyone else before? Does anyone know a solution to this problem?

My pymol version is PyMOL 1.4.1, I'm running it on Ubuntu 11.10 64bit, and
my graphical card is Intel Corporation 2nd Generation Core Processor Family.

Best Regards, Julian
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Re: [PyMOL] Creating Temporary Atoms

2011-12-08 Thread Jason Vertrees
Hi George,

Check out http://www.pymolwiki.org/index.php/Pseudoatom.

Please Google or search the PyMOLWiki for common things like this.

Cheers,

-- Jason

On Thu, Dec 8, 2011 at 3:59 PM, George Kvaratskhelia
kvaratskhel...@gmail.com wrote:
 Hi PyMol users,

 I'm new to pymol and was wondering if there was a way of creating temporary
 atoms that can be used to create distance objects? Or if there was a way of
 creating distance objects between two positions in space without creating a
 temporary atom? I'm writing a function file and this file is measuring
 distances between groups or sets of atoms and a distance object would make
 it much easier for a user to see where the group distances are measured
 from. Since I'm writing the function in python a command written way of
 producing this distance object is necessary and is much appreciated.


 -George Kvaratskhelia

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(o) +1 (603) 374-7120

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Re: [PyMOL] Graphical Problems

2011-12-08 Thread Jason Vertrees
Julian,

Can you please send me a screenshot of what you see?

Also, does:

unset use_shaders

help?  It sounds like your video driver needs to be updated.

Cheers,

-- Jason

On Wed, Dec 7, 2011 at 1:15 PM, Julian Zachmann
frankjulian.zachm...@uab.cat wrote:
 Dear Pymol-Users,

 I have a rather strange error. I can open pymol without having any problems
 or warnings.
 But when I'm looking at a protein then - especially when it is in cartoon
 mode, and even more when i move it around a lot - it is getting more and
 more blurry and it seems as if there are many small black spots on my
 protein. When I have more proteins aligned in different colors then I also
 see spots in the different colors on the protein. Has this problem occured
 to anyone else before? Does anyone know a solution to this problem?

 My pymol version is PyMOL 1.4.1, I'm running it on Ubuntu 11.10 64bit, and
 my graphical card is Intel Corporation 2nd Generation Core Processor Family.

 Best Regards, Julian

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Re: [PyMOL] Graphical Problems

2011-12-08 Thread Ian Berke
I have this problem when I run pymol using the Intel driver on my Ubuntu
11.10 64bit machine.  However, if I fire it up using the nvidia driver, I
have no issues and it's very smooth.  As someone else mentioned, this is
likely due to the poor quality of Intel Sandy Bridge graphics chips.

Here are my cards:
Intel mobile - i915 driver
Nvidia geforce gt 520m - nvidia-280.13-0ubuntu6 driver

I use ironhide to run the nvidia card for graphics intensive programs

Ian
-
Ian Berke, PhD
Associate Research Scientist, Modis Lab
Department of Molecular Biophysics and Biochemistry
Yale University
266 Whitney Ave, Bass 431
New Haven, CT 06520
(203) 432-4414


 Message: 6
 Date: Wed, 7 Dec 2011 19:15:28 +0100
 From: Julian Zachmann frankjulian.zachm...@uab.cat
 Subject: [PyMOL] Graphical Problems
 To: pymol-users@lists.sourceforge.net
 Message-ID:
cahctmqsod9mu4mnum+pdzy_t1q2mxv2bwjuwf9ggv2xqn2d...@mail.gmail.com
 
 Content-Type: text/plain; charset=iso-8859-1

 Dear Pymol-Users,

 I have a rather strange error. I can open pymol without having any problems
 or warnings.
 But when I'm looking at a protein then - especially when it is in cartoon
 mode, and even more when i move it around a lot - it is getting more and
 more blurry and it seems as if there are many small black spots on my
 protein. When I have more proteins aligned in different colors then I also
 see spots in the different colors on the protein. Has this problem occured
 to anyone else before? Does anyone know a solution to this problem?

 My pymol version is PyMOL 1.4.1, I'm running it on Ubuntu 11.10 64bit, and
 my graphical card is Intel Corporation 2nd Generation Core Processor
 Family.

 Best Regards, Julian
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