Re: [RFS] libpdb-redo
Hi Maarten,
thanks again for your contribution. I'm afraid there is another cut-n-pasto
in d/copyright:
Upstream-Name: libcifpp
Source: http://github.com/PDB-REDO/libcifpp
Otherswise it seems to be fine for sponsoring.
Kind regards
Andreas.
On Tue, Dec 08, 2020 at 11:40:16AM +0100, Maarten L. Hekkelman wrote:
> Finally I'm reaching the more interesting software I'd like to contribute.
> This library contains a lot of code that is shared among the various
> programs created for PDB-REDO ( https://pdb-redo.eu )
>
> The library contains code to create map files from MTZ and structure files.
> Distance maps, bond maps, a real space minimizer, ramachandran information
> and some symmetry operations (loop over all possible symmetry copies of an
> atom e.g.).
>
> The bond information is based on the CCD information but has been compressed
> in the Debian package to keep the package small. I could have done the same
> as in libcifpp, adding an update script and such, but I though that this was
> a bit too much for this first release. The upstream contains a tool to
> generate the compressed bond info file out of a CCD components.cif file.
>
> This library depends on libnewuoa which was accepted but is not on the
> server yet. Therefore I could only test it with sbuild, not with gbp
> buildpackage. So I guess it will have to wait here a bit.
>
> Any suggestions for improvement are welcome of course.
>
> regards, -maarten
>
>
--
http://fam-tille.de
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