Hi Nadine,
>> I would like to visualize the changes in secondary structure over the
>> [...]
>> change letters for helix, sheet ... in numbers, plot (splot) a 2D-color
>> map with gnuplot. The problem here is that I need for each residue an
>> extra expression in the splot command, so if I have a 200 residue
>> protein this is really a lot of work.
>
> my suggestion involves a bit of extra work but would be likely fast and
> powerful. Write a script (perl/python etc.) that reads in your ptraj
> secstruct output and prints out a postscript image file directly.
or, as a first step in scripting, just perform your substitutions
(sprintf commands) automatically via a perl/python script. This will
save you a lot of time and provide you with an additional flexibility.
Regards,
Anselm Horn
Bioinformatik
Friedrich-Alexander-Universtität Erlangen-Nürnberg
Germany
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Received on Tue Sep 13 2011 - 11:30:07 PDT
