This one seems good too. Jan Marten Simons <marten@xtal.rwth-aachen.de> (to be trained) has submitted a few ebuilds. Anybody else? What packages are in the tree already? George
List of packages, which are in tree so far and could be moved to a crystallographic herd (named xtal?): sci-chemistry/ccp4 Available versions: ~6.0.1 Installed: none Homepage: http://www.ccp4.ac.uk/ Description: Protein X-ray crystallography toolkit * sci-chemistry/cns Available versions: ~1.1 Installed: none Homepage: http://cns.csb.yale.edu/ Description: Crystallography and NMR System * sci-chemistry/coot Available versions: ~0.1.2_pre1 Installed: none Homepage: http://www.ysbl.york.ac.uk/~emsley/coot/ Description: Crystallographic Object-Oriented Toolkit for model building, completion and validation * sci-chemistry/eden Available versions: ~5.3 Installed: none Homepage: http://www.edencrystallography.org/ Description: A crystallographic real-space electron-density refinement and optimization program * sci-chemistry/maid Available versions: ~20011112 Installed: none Homepage: http://www.msi.umn.edu/~levitt/ Description: Automates the fitting of protein X-ray crystallographic electron density maps * sci-chemistry/ortep3 Available versions: ~1.0.3 Installed: none Homepage: http://www.ornl.gov/sci/ortep/ Description: Thermal ellipsoid plot program for crystal structure illustrations * sci-chemistry/platon Available versions: ~20060621 Installed: none Homepage: http://www.cryst.chem.uu.nl/platon/ Description: Versatile, SHELX-97 compatible, multipurpose crystallographic tool * sci-chemistry/shelx Available versions: ~20060317 Installed: none Homepage: http://shelx.uni-ac.gwdg.de/SHELX/ Description: Programs for crystal structure determination from single-crystal diffraction data * sci-libs/coot-data Available versions: ~1 Installed: none Homepage: http://www.ysbl.york.ac.uk/~emsley/coot/ Description: Data for the Crystallographic Object-Oriented Toolkit Maintainers of those would probably be interested in joining the new (sub-)herd, too.
(In reply to comment #1) > Maintainers of those would probably be interested in joining the new > (sub-)herd, too. Heh. Maintainers? I wrote and added all of those myself, so that would be in the singular.
I would join you, but we should build a structure herd and include any kind of technique to obtain, manipulate and present those.
We should go for something like structural protein science, including nmr xray and em.
Heh, the bug us still open, many many years after the initial push to reorg sci and many years since the last comment. We gotta do something about it - either finally make that new category, given enough packages already, or close it. Justin, Donnie: I guess I gotta give the honors of decision or eventual split to either of you, whoever feels more involved in this specific one ;).
(In reply to George Shapovalov from comment #5) > Justin, Donnie: I guess I gotta give the honors of decision or eventual > split to either of you, whoever feels more involved in this specific one ;). Hi George, both of us are probably drifting to far away from that topic. I am not sure if it is worth the effort. If we do something, we could rather think about "structural biology", "protein science",... But I find it hard to structure the package in a meaningful way with a single CAT.
So, lets close this bug then? sci-chemistry has only 115 packages, which is far from being the largest, so it doesn't seem to need an urgent split.. I guess I'll just wait for Donnie's comment for a little and then close it in a week or so (hope I won't forget) if he doesn't comment or say something similar..
