> Thomas,
>
> The PyMOL UI runs asynchronously. I think you are deleting your PDB
> files before they can be aligned. I made a couple changes in your
> script. Instead of calling cmd.do just call cealign directly. See
> below,
>
> query_template_chains = {
> "1ebh" : ["1ebg", "1els", "1one", "2one",
> "5enl", "6enl", "7enl"]
> }
>
> for query in query_template_chains.keys():
> for template in query_template_chains[query]:
> cmd.fetch(query, async=0)
> cmd.fetch(template, async=0)
> print "Superimposing ", query, " onto ", template
> cealign( query+" and c. A", template+" and c. A")
> cmd.delete(query)
> cmd.delete(template)
>
> Hope this helps,
>
> -- Jason
>
> Jason Vertrees, PhD
Jason,
I can't run cealign() from a script:
NameError: global name 'cealign' is not defined
I installed pymol from Fedora repositories and can't find .pymolrc,
therefore I load CEalig in my script like this:
cmd.do("run /home/thomas/Documents/cealign-0.9/cealign.py") # load
CEalign plugin
cmd.do("run /home/thomas/Documents/cealign-0.9/qkabsch.py")
The only way to run CEalign is using cmd.do().
Thomas
And of
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