Re: [PyMOL] loading a cube file from the API

2014-02-17 Thread Thomas Holder
Hi Raul,

there should be no difference between loading from the GUI or using the load 
(not Load) command.

The cube file needs to have a .cube extension.

Cheers,
  Thomas

On 16 Feb 2014, at 19:45, Raúl Mera Adasme rme...@gmail.com wrote:
 Hi all,
 
 I am trying to code a little script that needs to load Guassian cube
 files (to later create some isusurfaces). The cube format is
 supported, and one can easily use the TK interface (file-open) to
 load the file into PyMOL. I have been looking for the command to do it
 automatically in a script, but have not found it. Load is unable to
 open the files.
 
 Any ideas?
 
 Cheers,
 
 Raul

-- 
Thomas Holder
PyMOL Developer
Schrödinger, Inc.


--
Managing the Performance of Cloud-Based Applications
Take advantage of what the Cloud has to offer - Avoid Common Pitfalls.
Read the Whitepaper.
http://pubads.g.doubleclick.net/gampad/clk?id=121054471iu=/4140/ostg.clktrk
___
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net


Re: [PyMOL] loading a cube file from the API

2014-02-17 Thread Raúl Mera Adasme
Hi Thomas,
I am using the build that comes with Fedora. One could think they
skipped the plugin when compiled, as the error I get is:

load something.cube
 ObjectMolecule: plugin 'cube' cannot open 'kim-dense.cube'.


Nevertheless,  it does load it correctly when I use Open from the gui.

Thanks!

Raul

On Mon, Feb 17, 2014 at 11:41 PM, Thomas Holder
thomas.hol...@schrodinger.com wrote:
 Hi Raul,

 there should be no difference between loading from the GUI or using the 
 load (not Load) command.

 The cube file needs to have a .cube extension.

 Cheers,
   Thomas

 On 16 Feb 2014, at 19:45, Raúl Mera Adasme rme...@gmail.com wrote:
 Hi all,

 I am trying to code a little script that needs to load Guassian cube
 files (to later create some isusurfaces). The cube format is
 supported, and one can easily use the TK interface (file-open) to
 load the file into PyMOL. I have been looking for the command to do it
 automatically in a script, but have not found it. Load is unable to
 open the files.

 Any ideas?

 Cheers,

 Raul

 --
 Thomas Holder
 PyMOL Developer
 Schrödinger, Inc.


--
Managing the Performance of Cloud-Based Applications
Take advantage of what the Cloud has to offer - Avoid Common Pitfalls.
Read the Whitepaper.
http://pubads.g.doubleclick.net/gampad/clk?id=121054471iu=/4140/ostg.clktrk
___
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net

[PyMOL] loading a cube file from the API

2014-02-16 Thread Raúl Mera Adasme
Hi all,

I am trying to code a little script that needs to load Guassian cube
files (to later create some isusurfaces). The cube format is
supported, and one can easily use the TK interface (file-open) to
load the file into PyMOL. I have been looking for the command to do it
automatically in a script, but have not found it. Load is unable to
open the files.

Any ideas?


Cheers,


Raul

--
Android apps run on BlackBerry 10
Introducing the new BlackBerry 10.2.1 Runtime for Android apps.
Now with support for Jelly Bean, Bluetooth, Mapview and more.
Get your Android app in front of a whole new audience.  Start now.
http://pubads.g.doubleclick.net/gampad/clk?id=124407151iu=/4140/ostg.clktrk
___
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net