AMBER Archive (2009)

Subject: Re: [AMBER] secstruct

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Mar 05 2009 - 08:27:18 CST

what are the percentages? you might fluctuate between 310 and alpha-
but you're right that it can't be both at once.

On Thu, Mar 5, 2009 at 8:54 AM, Beale, John <jbeale_at_stlcop.edu> wrote:
> I am using "secstruct" in ptraj to compute the secondary structure of a
> small protein. The summary file out of secstruct shows that there is an
> alpha helical region of the secondary structure that overlaps with a
> 3-10 helix. I get two structural designations for the same region of the
> protein. How can this be explained? I expected to see a discrete alpha
> helix.
>
>
>
> John M. Beale, Ph,D,
>
> Associate Professor of Medicinal Chemistry
>
> St. Louis College of Pharmacy
>
> 4588 Parkview Place
>
> St. Louis, Missouri  63110
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> (314)-446-8461
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> Cell: (314)-315-0409
>
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>
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