[BioPython] Problem superimposing structures

Sergio E. Wong swon9 at itsa.ucsf.edu
Sat Jul 17 15:55:25 EDT 2004


Dear sirs.. I posted an inquiry several days ago, but haven't gotten any
response.  I am reposting and asking the same question, perhaps in a
different way to see if anyone can help me.

  I'm trying to superimpose two crystal structures.  I have successfully
installed Numeric.py module and the Bio module.  My python version is 2.2.
Has anyone been succesful in doing this? and if so, can you tell me how to
do it?  As explained below, I've tried the documentation, but it hasn't
worked.

   I am trying to superimpose two crystal structures using the
Bio.PDB.Superimposer, following the example in the biopython FAQ
document where it explains how to do this.  For the purposes of testing, I
am only using 5 atoms in the atoms lists.  Below I show the two atom lists
and the error I get when I try to use the set_atoms method.

>>> ebg_res1
[<Atom N>, <Atom CA>, <Atom C>, <Atom O>, <Atom CB>]
>>> ebh_res1
[<Atom N>, <Atom CA>, <Atom C>, <Atom O>, <Atom CB>]
>>> sup.set_atoms( ebg_res1, ebh_res1)
Traceback (most recent call last):
  File "<stdin>", line 1, in ?
TypeError: unbound method set_atoms() must be called with Superimposer
instance as first argument (got list instance instead)

Does anyone have any idea of why this is happening? Does anyone know of a
work around?  Perhaps using some other module??

Thanks

-Sergio


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