Re: [PyMOL] AutoDock plugin error

2018-06-14 Thread Enrique Ordaz
Hi, I thank you all for your answers and all the help provided. I will try to solve the problem with all the info I got and let you know the results. Best regards, Enrique 2018-06-13 10:20 GMT-05:00 Thomas Holder : > Hi all, > > I made a pull request to Pymol-script-repo where oldnumeric is

Re: [PyMOL] AutoDock plugin error

2018-06-13 Thread Thomas Holder
Hi all, I made a pull request to Pymol-script-repo where oldnumeric is replaced with numpy in the bundled ADT copy. Anyone willing to review and test this? https://github.com/Pymol-Scripts/Pymol-script-repo/pull/98 Cheers, Thomas > On Jun 13, 2018, at 11:24 AM, J.R. W wrote: > > Enrique,

[PyMOL] AutoDock plugin error

2018-06-13 Thread Enrique Ordaz
Dear everyone, I have recently installed the open-source Pymol 1.7.x on Ubuntu 16.04 sudo-apt-get install pymol I then added the Pymol-script-repo which includes the Autodock/Vina plugin and ADT. This has worked well for me in the past. However on this new installation I keep getting the

[PyMOL] AutoDock plugin

2016-09-10 Thread Enrique Ordaz
Dear everyone, I have recently installed the open-source Pymol 1.7.x on Ubuntu 16.04, I also installed the AutoDock plugin and after some configuration it all worked fine. However, I then installed the GROMACS plugin as described in the PyMOL wiki sudo add-apt-repository ppa:tomaszm/dynamics

[PyMOL] autodock plugin -- no subprocess.py

2014-05-27 Thread Blake Mertz
Hello, I've been working through different tabs of the AD plugin, trying to find out what works with PyMOL v.1.7.1.3. The radio buttons on the grid tab are not working, but the biggest hurdle I've come against to this point is on the receptor tab. The plugin will correctly import the receptor

[PyMOL] AutoDock plugin

2013-12-06 Thread James Starlight
Dear PyMol users! I've forced with the problem of the installation of AutoDock plugin pymoawiki.org/index.php/Autodock_plugin in recent pymol version. I've tried to install it manually from the downloaded py script but at the starting of pymol below error has bbeen appeared Unable to initialize

Re: [PyMOL] AutoDock plugin

2013-12-06 Thread Thomas Holder
Hi James, is it recent version of PyMOL, or recent version of Windows which makes trouble? On Windows, the plugin tries to write to the PyMOL installation folder, which fails if you don't have write permissions there. This needs to be fixed, the plugin should write to the users folder also on

Re: [PyMOL] AutoDock plugin

2013-12-06 Thread James Starlight
Thomas, Thanks for suggestions. 1)I have installed Numpy. 2) File /usr/lib/python2.7/dist-packages/pymol/parser.py, line 260, in parse exec(layer.com2+\n,self.pymol_names,self.pymol_names) File string, line 1, in module File /usr/share/pyshared/pmg_tk/startup/autodock_plugin.py, line

[PyMOL] Autodock Plugin Problem

2010-06-10 Thread Kin Sing Stephen Lee
Dear all, I have a problem running autodock 4 using autodock plugin in pymol. The pymol automatically shut down once I run the autogrid. I read the webpage saying that I have to turn the feature off by setting the environmental variable to ADPLUGIN_NO_OUTPUT_REDIRECT I am not very

Re: [PyMOL] Autodock plugin

2010-05-07 Thread Michael Banck
Hi, On Tue, Feb 16, 2010 at 08:26:00PM +0100, Daniel Seeliger wrote: take a look into ~/.ADplugin/pymol_autodock_plugin.conf and set the path to the autodocktools scripts correctly. Then the plugin should find them. Speaking of which, I was just taking a look about including your autodock

[PyMOL] Autodock plugin

2010-02-16 Thread Kin Sing Stephen Lee
Dear all, This is the first time for me to use the autodock plugin and I have some simple questions. I'm using Macbook Pro (OS X v 10.5 - leopard). Autodock and autodock tools run fine in the X11 terminal. In the autodock plugin, I need to put in the autodock tool program path,so I put

Re: [PyMOL] Autodock plugin

2010-02-16 Thread Daniel Seeliger
Hi Sing, take a look into ~/.ADplugin/pymol_autodock_plugin.conf and set the path to the autodocktools scripts correctly. Then the plugin should find them. Cheers, Daniel On Tuesday 16 February 2010 08:06:40 pm Kin Sing Stephen Lee wrote: Dear all, This is the first time for me to use the

[PyMOL] 2. pymol autodock plugin (Daniel Seeliger)

2009-09-17 Thread Kin Sing Stephen Lee
: Daniel Seeliger dsee...@gwdg.de Subject: [PyMOL] pymol autodock plugin To: pymol-users@lists.sourceforge.net Message-ID: 200909162209.02183.dsee...@gwdg.de Content-Type: text/plain; charset=iso-8859-1 Dear PyMOLers, there is a new version of the plugin on the web (http://wwwuser.gwdg.de

[PyMOL] pymol autodock plugin

2009-09-16 Thread Daniel Seeliger
To: pymol-users@lists.sourceforge.net Subject: [PyMOL] pymol autodock plugin The autodock plugin written by Daniel Seeliger ceased to function (load) when I upgraded to Pymol 1.2r1. Although it is not compatible directly with Autodock 4, it did have the useful functionality

[PyMOL] pymol autodock plugin

2009-08-13 Thread Jed Goldstone
The autodock plugin written by Daniel Seeliger ceased to function (load) when I upgraded to Pymol 1.2r1. Although it is not compatible directly with Autodock 4, it did have the useful functionality of presenting an autodock 'box' that was readily tweakable, so that the parameters could be

Re: [PyMOL] pymol autodock plugin

2009-08-13 Thread Warren DeLano
1:34 PM To: pymol-users@lists.sourceforge.net Subject: [PyMOL] pymol autodock plugin The autodock plugin written by Daniel Seeliger ceased to function (load) when I upgraded to Pymol 1.2r1. Although it is not compatible directly with Autodock 4, it did have the useful functionality