[PyMOL] 0.86 and MacOS X

2003-01-07 Thread yuriwho
I would like to report that 0.86 works fine under MacOS X 10.2.3 using 
Apples X11 version of xwindows. As far as I can tell it also has 
graphics acceleration (but I'm not sure as I haven't done any rigorous 
tests...seems dramatically faster than previous xwindows(fink) versions 
of pymol). I am using the latest fink package on a TiBook 800.


Can anyone else comment about speed/features using 0.86 under X11 
versus current/future MacOS X ports?


It is nice to have the more full featured menus again.

Y

yuri...@mac.com




RE: [PyMOL] "Rolling your own" functions in PyMol

2003-01-07 Thread DeLano, Warren
Stephen,

You're looking for the PyMOL API function "extend":

from pymol import cmd
cmd.extend("ramp_colors",ramp_chain.ramp_colors)

Would then permit the following:

ramp_colors chain A

See "help extend" for more info...

Cheers,
Warren

--
mailto:war...@sunesis.com
Warren L. DeLano, Ph.D. 
Informatics Manager 
Sunesis Pharmaceuticals, Inc. 
341 Oyster Point Blvd. 
S. San Francisco, CA 94080 
(650)-266-3606 FAX:(650)-266-3501



> -Original Message-
> From: Stephen Graham [mailto:steph...@usyd.edu.au]
> Sent: Tuesday, January 07, 2003 4:14 PM
> To: pymol-users@lists.sourceforge.net
> Subject: [PyMOL] "Rolling your own" functions in PyMol
> 
> 
> Hi All,
> 
> I am a recent subscriber to the list, so apologies if this 
> question has
> been answered before.  I am interested in finding out how you can add
> your own functions to PyMol such that they may be 
> "transparently" called
> from inside PyMol's shell.  The the basic question is "How do 
> I register
> PyMol names for home-grown functions so that they can be used like the
> functions in the util module".  A more detailed example of what I am
> after is below.  Also, are there any warehouses or collections of
> home-grown functions to which I could submit functions I 
> write and from
> which I could gain examples from other users?
> 
> Cheers
> 
> Stephen
> 
> == More detailed description of my problem ==
> 
> I have written a function to ramp coloring of a backbone 
> between two or
> more arbitrary colors (it is really a generalization of the code in
> util.rainbow).  I have imported the code using the general 
> Python import
> command:
>   import ramp_chain
> Now, let's say that I have a selection object defined as:
>   select A,(chain A)
> Were I using the rainbow command I would be able to issue the command:
>   util.rainbow A
> Which follows the general rules of command line parsing.  
> Unfortunately,
> in my case issuing the command:
>   ramp_chain.ramp_colors A
> gives the error:
>   Syntax error: unexpected EOF (and there is an arrow under the letter
>   A).
> I *can* call the command using the syntax:
>   ramp_chain.ramp_colors( "chain A" )
> but this syntax is not optimal - I would like to be able to use my
> already defined selections.
> 
> -- 
> Stephen Graham
> PhD candidate and nasty sysadmin
> Crystallography Group
> School of Molecular and Microbial Biosciences
> Building G08
> University of Sydney
> New South Wales, 2006
> Australia
> Ph: +61 2 9351 8197
> Fax: +61 2 9351 4726
> 
> 
> ---
> This SF.NET email is sponsored by:
> SourceForge Enterprise Edition + IBM + LinuxWorld = Something 2 See!
> http://www.vasoftware.com
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> 



[PyMOL] "Rolling your own" functions in PyMol

2003-01-07 Thread Stephen Graham
Hi All,

I am a recent subscriber to the list, so apologies if this question has
been answered before.  I am interested in finding out how you can add
your own functions to PyMol such that they may be "transparently" called
from inside PyMol's shell.  The the basic question is "How do I register
PyMol names for home-grown functions so that they can be used like the
functions in the util module".  A more detailed example of what I am
after is below.  Also, are there any warehouses or collections of
home-grown functions to which I could submit functions I write and from
which I could gain examples from other users?

Cheers

Stephen

== More detailed description of my problem ==

I have written a function to ramp coloring of a backbone between two or
more arbitrary colors (it is really a generalization of the code in
util.rainbow).  I have imported the code using the general Python import
command:
  import ramp_chain
Now, let's say that I have a selection object defined as:
  select A,(chain A)
Were I using the rainbow command I would be able to issue the command:
  util.rainbow A
Which follows the general rules of command line parsing.  Unfortunately,
in my case issuing the command:
  ramp_chain.ramp_colors A
gives the error:
  Syntax error: unexpected EOF (and there is an arrow under the letter
  A).
I *can* call the command using the syntax:
  ramp_chain.ramp_colors( "chain A" )
but this syntax is not optimal - I would like to be able to use my
already defined selections.

-- 
Stephen Graham
PhD candidate and nasty sysadmin
Crystallography Group
School of Molecular and Microbial Biosciences
Building G08
University of Sydney
New South Wales, 2006
Australia
Ph: +61 2 9351 8197
Fax: +61 2 9351 4726



[PyMOL] povray rendering in windows

2003-01-07 Thread Samy Meroueh

Hi all,
  Has anyone sucessfully set up pymol so it can ray trace images using povray? 





Re: [PyMOL] New PyMOL Release for Win/Linux/SGI

2003-01-07 Thread Chris Winfield
Has anybody managed to get ScriptBox working under Windows with v0.86?? I'm 
having trouble.


I put ScriptBox.py in the appropriate placeplace and the following at the 
end of the createMain(self) procedure in PMGApp.py in the usual manner:


ScriptBox.__init__(self)

But get the following error on loading PyMol:

NameError: global name 'ScriptBox' is not defined

If anyone has any suggestions they'd be most appreciated. I like ScriptBox 
a lot so do you think there's any chance of incorporating this into PyMol 
either as a GUI window or as its own dropdown scripts menu that could also 
list all the scripts in a given directory??


Cheers,

Chris.
___

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Post-Doctoral Researcher  Tel: +44 (0)1179 546 324
School of Chemistry   Fax: +44 (0)1179 298 611
University of Bristol Mob: +44 (0)7866 550 518
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