Re: [PyMOL] Pymol APBS plugin error

2019-12-02 Thread Jack Howarth
Also, keep in mind that pdb2pqr isn't python3 friendly so you will have to use an externally generated pqr file. The current mechanism for calling pdb2pqr from within the APBS Tool results in pdb2pqr running under the same python as pymol. Jack On Mon, Dec 2, 2019 at 5:58 PM Jack Howarth

Re: [PyMOL] Pymol APBS plugin error

2019-12-02 Thread Jack Howarth
You need more patches in your installed Pmw 2.0.0. On MacPorts, we use... https://github.com/macports/macports-ports/blob/master/python/py-pmw/files/patch-pmw2-py36.diff and https://github.com/macports/macports-ports/blob/master/python/py-pmw/files/patch-pmw2.diff applied over Pmw_2_0_0. Jack

[PyMOL] Pymol APBS plugin error

2019-12-02 Thread RDirective
Dear all, I get the following errors when trying to launch the APBS plugin from the plugins menu Traceback (most recent call last): File "/home/quyen/Pymol/install/lib64/python/pmg_tk/startup/apbs_tools.py", line 322, in command = lambda s=self: APBSTools2(s)) File

Re: [PyMOL] PyMOL + APBS plugin

2016-01-13 Thread Thomas Holder
Hi Matic, 1. If you have conflicting (non-unique) file names, you have two options: a) Specify an object name with the "load" command (load foo_1.dx, foo_1_map) b) Set the "auto_rename_duplicate_objects" setting 2. The APBS GUI update bug has been fixed in the PyMOL SVN repository two days

Re: [PyMOL] PyMOL + APBS plugin

2016-01-13 Thread Matic Kisovec
Dear Thomas, thank you for these short and perfect answers. 1. All fine now. 2. Updated the plugin and the GUI bug is gone. One more thing though. Whenever I click the button to either set temporary file locations or to set program locations in APBS GUI window I immediately get a

Re: [PyMOL] PyMOL APBS plugin on Ubuntu 12.10 - error after 'run APBS'

2013-06-03 Thread Troels Emtekær Linnet
Hej Tobias. Some time ago, a year+?, I played around fixing some small things in APBS, to make it easier to work. (Most fixing small path things) Orginal version: http://pymolwiki.org/index.php/APBS Small modified version: http://pymolwiki.org/index.php/Apbsplugin The modified version, is

Re: [PyMOL] PyMOL APBS plugin on Ubuntu 12.10 - error after 'run APBS'

2013-06-03 Thread Tobias Beck
Hi Troels, Many thanks for your email! I found a work around for my problem this morning: I copied the pdb2pqr directory from my Mac and now the plugin works. I guess for the Ubuntu pymol package, the pdb2pqr is not installed by default? svn co svn://svn.code.sf.net/p/pymol/code/trunk/pymol

[PyMOL] PyMOL APBS plugin on Ubuntu 12.10 - error after 'run APBS'

2013-05-31 Thread Tobias Beck
Dear all, I am trying to run the ABPS plugin with PyMOL Version 1.6.0.0 on Ubuntu 12.10. I have compiled pymol from source ( http://www.pymolwiki.org/index.php/Linux_Install). When running the plugin, I can set the grid, but after clicking on Run APBS, I get the following error: Unexpected