Re: [PyMOL] apbs error (Error in background function)

2015-03-18 Thread Matic Kisovec
Dear Thomas, thank you a lot for your quick reply. Just to help the users that might find these posts in the future; the path in my case was: /usr/local/lib/python2.7/dist-packages/pmg_tk/startup/apbs_tools.py and the plugin settings look like this: ... # Global config variables # # To change

Re: [PyMOL] apbs error (Error in background function)

2015-01-30 Thread Thomas Holder
Dear Matic, the only option to permanently store those paths is to edit the plugin file. Look for apbs_tools.py in the PyMOL installation directory and there for Global config variables. Cheers, Thomas On 30 Jan 2015, at 00:33, Matic Kisovec matic.kiso...@ki.si wrote: Dear Thomas,

Re: [PyMOL] apbs error (Error in background function)

2015-01-29 Thread Matic Kisovec
Dear Thomas, thank you for your quick reply. I can confirm that now APBS tools2.1 plugin inside Pymol 1.7.4 works as expected. I do have one more issue. Every time I execute Pymol I get two lines saying: Could not find default location for file: psize.py Could not find default location for

Re: [PyMOL] apbs error (Error in background function)

2015-01-28 Thread Matic Kisovec
Dear Pymol users, I have recieved the same error as mentioned in the email ate bottom that was sent by DE FALCO JR LOUIS in September 2014 to this list. There was one reply that is a known bug and a link was provided. The bug was filed in March 2013. The difference is this time this happened

Re: [PyMOL] apbs error (Error in background function)

2015-01-28 Thread Thomas Holder
Dear Matic, this was fixed for 1.7.4: https://sourceforge.net/p/pymol/code/4099/ Please install the latest version. Cheers, Thomas On 28 Jan 2015, at 10:04, Matic Kisovec matic.kiso...@ki.si wrote: Dear Pymol users, I have recieved the same error as mentioned in the email ate bottom

Re: [PyMOL] apbs error (Error in background function)

2014-09-01 Thread Thomas, Jens
simpler that might work. Best wishes, Jens From: #DE FALCO JR LOUIS# [defa0...@e.ntu.edu.sg] Sent: 01 September 2014 01:54 To: pymol-users@lists.sourceforge.net Subject: [PyMOL] apbs error (Error in background function) Hello, I just updated

[PyMOL] apbs error (Error in background function)

2014-08-31 Thread #DE FALCO JR LOUIS#
Hello, I just updated PyMol Open Source to version 1.7.2.0-2 via the fink package manager. Now, when I initiate the APBS Tools.1 plugin the following error occurs: Error in background function Error: 1 class '_tkinter.TclError' Exception in Tk callback Function: function lambda at

Re: [PyMOL] APBS error

2013-06-18 Thread Chen Zhao
Thank you so much Troels, This solves my problem. But based on this, it seems that APBS In pymol failed to find PDB2PQR. Chen On Tue, Jun 18, 2013 at 1:40 AM, Troels Emtekær Linnet tlin...@gmail.comwrote: Have a look on the earlier message on this.

Re: [PyMOL] APBS error

2013-06-18 Thread Troels Emtekær Linnet
Do you have linux or windows? Do you have PDB2PQR on your system? http://pymolwiki.org/index.php/Apbsplugin http://www.poissonboltzmann.org/pdb2pqr Troels Emtekær Linnet 2013/6/18 Chen Zhao chenzhaoh...@gmail.com Thank you so much Troels, This solves my problem. But based on this, it

Re: [PyMOL] APBS error

2013-06-18 Thread Troels Emtekær Linnet
Hi Chen. If you are up for it, pdb2pqr exist in the Pymol-script repo. http://pymolwiki.org/index.php/Git I have made a automatic compile script. See here: http://pymolwiki.org/index.php/User:Tlinnet/Linux_Install#Install_script That should fix it for you. Try to look it through, and just write

[PyMOL] APBS error

2013-06-17 Thread Chen Zhao
Dear Pymol Users, I have been trying to configure APBS-1.4 plugin of pymol 1.6 on a Debian Wheezy machine. The initialization is successful, but when I hit set grid, I got the error message below: *error: 1 type 'exceptions.UnboundLocalError' Exception in Tk callback Function: function lambda

Re: [PyMOL] APBS error

2013-06-17 Thread Troels Emtekær Linnet
Have a look on the earlier message on this. http://www.mail-archive.com/pymol-users@lists.sourceforge.net/msg11148.html Troels Emtekær Linnet 2013/6/18 Chen Zhao chenzhaoh...@gmail.com Dear Pymol Users, I have been trying to configure APBS-1.4 plugin of pymol 1.6 on a Debian Wheezy

[PyMOL] APBS error

2007-12-17 Thread Thomas Juettemann
Dear all, when trying to use the APBS plugin I experience the following problem The first time I tried to run it it the error message was simply ObjectMapLoadDXFile-Error: Unable to open file! Now the second time it pops up an error log: Error: 1 WindowsError Exception in Tk callback

Re: [PyMOL] apbs error ObjectMapLoadDXFile-Error: Unable to open file! / multiple electrostatics maps overlapping

2005-02-07 Thread Michael George Lerner
Hi, I've been meaning to update APBS tools so that some of the warnings are larger and better explained. WARNING: 53 atoms did not have properties assigned means that PyMOL couldn't automatically assign properties for 53 atoms in yoru molecule. This is usually because you have

Re: [PyMOL] apbs error ObjectMapLoadDXFile-Error: Unable to open file! / multiple electrostatics maps overlapping

2005-02-07 Thread Michael George Lerner
Hi, On Mon, 7 Feb 2005, Sabuj Pattanayek wrote: Dear Mr. Lerner, Thanks for letting me know about the PDB2PQR server. I was able to generate a pqr from the NBCR website that then works with APBS to generate the dx map. I'm not sure how to get the same electrostatic gradient effect on the