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Re: [modeller_usage] making ideal alpha-helix
- To: Jan Kosinski <kosinski AT embl.de>
- Subject: Re: [modeller_usage] making ideal alpha-helix
- From: Modeller Caretaker <modeller-care@ucsf.edu>
- Date: Fri, 12 Jul 2013 12:22:50 -0700
- Cc: modeller_usage@listsrv.ucsf.edu
On 7/9/13 11:30 PM, Jan Kosinski wrote:
I am having a trouble with making an alpha helix example (
http://salilab.org/modeller/wiki/Make%20alpha%20helix).
It works fine for shorter helices, but if I increase helix length and do
e.g. m.build_sequence('AAAAAAAAAAAAAAAAAA') then the resulting helix is
far from perfect
Modeller's secondary structure restraints are used to help 'persuade' a
model to adopt a given secondary structure - they don't force it at the
expense of conforming to the template restraints and/or stereochemistry.
So they don't constrict the conformational space enough to always result
in perfect helices, and so I wouldn't expect to see such helices,
particularly for longer sequences.
Ben Webb, Modeller Caretaker
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