[gmx-users] secondary structure propensities of residues
Mark.Abraham at anu.edu.au
Wed Mar 9 15:58:38 CET 2011
On 10/03/2011 1:36 AM, Justin A. Lemkul wrote:
> ZHAO Lina wrote:
>> How do get the percentage of the secondary structure propensities of
>> seems dssp none such effect?
> The scout.xvg file contains everything you need (in a broad sense) -
> number of residues in a given secondary structure over time. If you
> need a per-residue breakdown, there is no Gromacs tool that does that,
> but the .xpm file contains that information, so you can write your own
> script and extract it.
Actually I modified do_dssp in late January to do that. The OP will need
to download the release-4-5-patches version of src/tools/do_dssp.c and
copy it to their normal installation directory (or compile
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