id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
1270	pbm running ISOLDE (OpenMM)	vincent.chaptal@…	Tristan Croll	"{{{
Hi,

I have an error message trying the run the plugin ISOLDE coming back 
from vacation. It worked before leaving...

I load a pdb just fine, load the map fine, initialize fine, but when I 
hit the run button from ISOLDE I have this:
the error message is:
File 
""/Applications/ChimeraX.app/Contents/Library/Frameworks/Python.framework/Versions/3.6/lib/python3.6/site-packages/simtk/openmm/app/forcefield.py"", 
line 1051, in createSystem
template = self._templates[tname]

/See log for complete Python traceback.

/looking at the forcefield.py, the template = self._template line is 
under the ""unmatched residues"" part of the program.

Does it mean that there is something going on with my pdb with unmatched 
residues between chains (4 identical chains), or is it more a ""computer 
problem""?
something that might help is that I recall updating my OS system (mac 
10.11.6), but I'm not sure of the dates I've done it and if I used 
ISOLDe afterwards or not.

Thanks for your help
Vincent
//

-- 

Vincent Chaptal, PhD

Institut de Biologie et Chimie des Protéines

Drug Resistance and Membrane Proteins Laboratory

7 passage du Vercors

69007 LYON

FRANCE

+33 4 37 65 29 01

http://www.ibcp.fr



}}}
"	defect	closed	normal		Third Party		fixed		Tom Goddard				all	ChimeraX