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 -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected] Archive: http://lists.debian.org/[email protected]
