AMBER Archive (2009)

Subject: Re: [AMBER] secstruct

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Feb 19 2009 - 07:30:16 CST

numerals? you should get letters, which stand for the sec structure
types as defined by DSSP.
Helix, Turn, G for 3-10, b and B for beta sheet (parallel and anti) and so on.

W. Kabsch and C. Sander. Dictionary of Protein Secondary Structure:
Pattern Recognition of Hydrogen Bonded and Geometrical Features.
Biopolymers 22: 2577-2637 (1983).

On Thu, Feb 19, 2009 at 8:22 AM, Beale, John <jbeale_at_stlcop.edu> wrote:
> What do the numerals in the secstruct.sum file created by using
> "secstruct" in ptraj signify?
>
>
>
> John Beale
>
>
>
> John M. Beale, Ph,D,
>
> Associate Professor of Medicinal Chemistry
>
> St. Louis College of Pharmacy
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