[MMTK] A minor Python script problem

Ben Carrington bjc32@hermes.cam.ac.uk
Mon, 22 Apr 2002 11:34:32 +0100 (BST)


I am trying to automate my work a little and cannot succeed in passing a
pdb filename from either a file or the command line into the MMTK protein
universe statement, something like this:

universe = InfiniteUniverse(DeformationForcefield())
universe.protein = Protein( input("enter pdb file name"), model='calpha')

I have tried taking "input" into a variable and forcing string context and
so on but i can't make it work the error I get is usually something like:

...
 File "<string>", line 0, in ?
NameError: name 'insulin.pdb' is not defined

cheers

Ben