[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
 Exception in Tk callback
  Function:  at 0x10cc75230> (type: )
  Args: ()
Traceback (innermost last):
  File "/sw/lib/python2.7/site-packages/Pmw/Pmw_1_3_3/lib/PmwBase.py", line 
1753, in __call__
return apply(self.func, args)
  File "/sw/lib/python2.7/site-packages/pmg_tk/startup/apbs_tools.py", line 
314, in 
command = lambda s=self: APBSTools2(s))
  File "/sw/lib/python2.7/site-packages/pmg_tk/startup/apbs_tools.py", line 
680, in __init__
group.pack(fill='both',expand=1, padx=4, pady=5)
  File "", line 1, in pack
None
  File "/sw/lib/python2.7/lib-tk/Tkinter.py", line 1887, in pack_configure
+ self._options(cnf, kw))
: cannot use geometry manager pack inside 
.4509565296.4509566808.4509809840.4510083120 which already has slaves managed 
by grid

I brought this to the attention of apbs developers who suggested I post this 
error here as it seems related to PyMol and not apbs.  Not a very savvy user 
here so this may be entirely my fault.

Thank you!
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Re: [PyMOL] Other coloring strategies based on user-provided properties

2014-08-31 Thread Schubert, Carsten [JRDUS]
Chen,

not sure if this has made it yet into the open source version, but to quote the 
incentive version documentation “Beginning with incentive PyMOL 1.6, arbitrary 
object level and atom level properties are supported. Now, for each object and 
each atom you can possibly have an arbitrary dictionary associated with each.” 
So if you are a subscriber you could make use of that feature, which could be 
more powerful than relying either on the B-factor or Occupancy fields.

HTH

Carsten

From: Chen Zhao [mailto:chenzhaoh...@gmail.com]
Sent: Friday, August 29, 2014 12:25 PM
To: pymol-users@lists.sourceforge.net
Subject: [PyMOL] Other coloring strategies based on user-provided properties

Dear all,
I am thinking whether it is possible to color a molecule by a specific property 
residue-wise or atom-wise like generally be done on B-factor? This property 
could be provided as numbers in a column. An obvious way might just be to 
change the B-factor column to the user-provided column and "color by B-factor". 
But I am wondering whether there are some direct ways of doing this.
Best,
Chen
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