[PyMOL] Display technical info about objects

2012-01-17 Thread Martin Hediger
Dear List
I'm frequently loading a number of objects into PyMOL which formally 
have the same name, but are different in structure. Sometimes it can 
become a bit difficult to keep track of which object is what.
Is there a way to display technical information about a loaded object? 
Say, the file path to the loaded PDB file? That would be great.

Thanks for hints.
Martin

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[PyMOL] Info graphical cards

2012-01-17 Thread Gianluigi Caltabiano
Dear PyMOLers,

I am going to buy a new PC and want to make sure no issues come with the 
graphical card and PyMOL. 
The PC will run on Ubuntu 11.10 on a Intel Core i5 2400  vPro.
The card will be NVIDIAGeForceGTX 560 Ti  


Does anybody had any issues with this card?

cheers

Gianluigi--
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Re: [PyMOL] Info graphical cards

2012-01-17 Thread Jason Vertrees
Hi Gianluigi,

 The card will be NVIDIA GeForce GTX 560 Ti

That card _should_ be fine for typical PyMOL usage. But, be warned:
that card will NOT do 120 Hz stereoscopic 3D. You need a Quadro card
for that.

Upon looking further, the card supports OpenGL 4.1 and NVidia usually
has pretty good drivers. That's good. But, my only concern is that
it's marketed for DirectX (usually, gaming) performance. PyMOL is pure
OpenGL, not DirectX.

As always, with Linux, check your driver and distributions's release
notes to see if your card is supported.

Good luck.

Cheers,

-- Jason

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PyMOL Product Manager
Schrodinger, LLC

(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120

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Re: [PyMOL] Display technical info about objects

2012-01-17 Thread Jason Vertrees
Hi Martin,

PyMOL does not keep track of which files the objects were loaded from.
If you wanted, you could wrap the load command in with your own load
command that keeps track of such information, for example in a
dictionary. That could look something like this:

def load_with_props(fileName, objName):

  # store whatever info you want, like the filename

  obj_info[objName] = fileName

  # ... do more recording of properties you choose

  # ask PyMOL to now load the file

  cmd.load(fileName,objName)

Then you could just query obj_info based on object name:

for obj in cmd.get_names():
  print obj_info[obj]

Cheers,

-- Jason



On Tue, Jan 17, 2012 at 3:44 AM, Martin Hediger ma@bluewin.ch wrote:
 Dear List
 I'm frequently loading a number of objects into PyMOL which formally
 have the same name, but are different in structure. Sometimes it can
 become a bit difficult to keep track of which object is what.
 Is there a way to display technical information about a loaded object?
 Say, the file path to the loaded PDB file? That would be great.

 Thanks for hints.
 Martin

 --
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-- 
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PyMOL Product Manager
Schrodinger, LLC

(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120

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Re: [PyMOL] Scene exporter for Web

2012-01-17 Thread Takanori Nakane
Dear Troels,

 There is now a description available at:
 http://pymolwiki.org/index.php/Pymol2glmol

Thank you very much for making a nice wiki page!

I will keep updating the script. 
I also have plans to write exporters for Android (ESmol, NDKmol).
Exporting Pymol scenes to tablet devices for presentation and
discussion would be useful.

Dear Jason,

Yes, WebGL is very exciting technology.
I hope WebGL be available on more platforms, including iOSs 
(currently disabled officially except for iAds).

By the way, can you give me a wiki account?
In addition to pymol2glmol, I think I can contribute by
writing documentations for undocumented APIs and settings,
such as cmd.dump, get_session, etc.

Best regards,

Takanori Nakane

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Re: [PyMOL] Scene exporter for Web

2012-01-17 Thread Jason Vertrees
Hi Takanori,

 By the way, can you give me a wiki account?
 In addition to pymol2glmol, I think I can contribute by
 writing documentations for undocumented APIs and settings,
 such as cmd.dump, get_session, etc.

Your account has been created. You will soon receive instructions from
the PyMOLWiki.

Cheers,

-- Jason

-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC

(e) jason.vertr...@schrodinger.com
(o) +1 (603) 374-7120

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