Re: any volunteer for packaging "reduce" ?
Hi,
On Sun, Sep 04, 2011 at 12:23:04PM +0200, Steffen Möller wrote:
> This is a bit more for debichem or debian-science, but mentioned
> in the autodock tips'n'tricks documentation. Well, just any volunteer
> for packaging
> http://kinemage.biochem.duke.edu/software/reduce.php
> would be most welcome.
>
> The package is free in some GNU sense but has a custome 5-10 lines
> license. The source code needs some clean up from .a and .o files,
> and it comprises at least one library libpdb that may we investigated
> to appear as a separate binary package.
>
> I do not have the time for it but happily serve as a mentor/sponsor.
I might take a look at some point, but note that openbabel can likely do
it as well:
obabel -h -ipdb input.pdb -opdb input_with_h.pdb
The -h switch adds hydrogens.
Michael
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