Hi Ivan,
There's definitely a bug in that script. It looks like most of the file has
one extra space of indentation. I don't feel comfortable changing it at the
moment, as I'm not on a machine that has ccp4, but perhaps someone else can
fix and test it. If not, I'll fix it tomorrow.
Cheers,
-Michael
On Wed, May 25, 2011 at 7:35 PM, Campeotto, Ivan <i.campeo...@imperial.ac.uk
> wrote:
> Dear All,
>
>
> I would like to compare the intermolecular crystal contacts in seven
> crystal forms of the same enzyme.
> I produced a list of contacts for each crystal form using the program
> NCONT from CCP4 and I found the ContactsNCONT script in the PyMOL Wiki (
> http://www.pymolwiki.org/index.php/ContactsNCONT), which would save me a
> lot of time.
> Unfortunately, when I run the ContactsNCONT script, I always have the
> following message with different PCs running different OS (Windows, RedHat
> or Mac):
>
> File "C:\Program Files\DeLano Scientific\PyMOL/modules\pymol\parser.py",
> line 338, in parse
> parsing.run_file(path,self.pymol_names,self.pymol_names)
> File "C:\Program Files\DeLano Scientific\PyMOL/modules\pymol\parsing.py",
> line 455, in run_file
> execfile(file,global_ns,local_ns)
> File "C:/Documents and Settings/Ivan/Desktop/ContactsNCONT.py", line 3
> def parseContacts( f ):
> ^
> IndentationError: unexpected indent
>
>
> Any suggestion will be more than appreciated.
>
>
> Thank you in advance,
>
> Regards
>
> Ivan Campeotto
> Centre for Molecular Microbiology and Infection
> Imperial College London
>
>
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--
Michael Lerner, Ph.D.
IRTA Postdoctoral Fellow
Laboratory of Computational Biology NIH/NHLBI
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