Coot is a graphics program for building, refining and analysing macromolecular models obtained with crystallographic procedures.
There is a [http://
www. biop. ox.ac.uk/coot/ homepage] with extensive [http:// www. biop. ox.ac.uk/coot/docs .html documentation]. The program may be downloaded for Linux , Mac and Windows computers from the [http:// www. ysbl. york.ac.uk/ ~emsley/software/binaries/ primary server] (as of July 10, 2009 there's a new site at http:// www.biop.ox.ac.uk/coot/ devel/build-info.html) or, if that is not available, from an [ftp:/ /turn5.biologie.uni- konstanz.de/ coot external mirror]. The license of Coot is GNU GPL.
==Installing Coot on OS X==
Please refer to the [http://sage.ucsc.edu/xtal/wiki/index.php/Installing_Coot_on_OS_X Installing Coot on OS X] page
This is the recommended way for those who do not want to delve into the mysteries of compiling and linking a great but complex piece of software. Read the (somewhat outdated, it seems) [http://www.ysbl.york.ac.uk/%7Eemsley/coot/coot-faq.html Coot FAQ] to find "Additional Notes" for your operating system.
In short, just go to http://www.ysbl.york.ac.uk/~emsley/software/binaries/nightlies/pre-release/
and pick a suitable binary, e.g.
coot-0.5-pre-1-revision-1003-binary-Linux-i386-fedora-5.tar.gz for a Red Hat Enterprise Linux 5 or CentOS-5 system (Fedora 6 corresponds to RHEL5, thus Fedora 5 binaries are OK). If you prefer a "stable" binary, these are at http://www.ysbl.york.ac.uk/~emsley/software/binaries/stable/.
and install the library, again using yum (assuming yum is available in your distribution, otherwise use apt or whatever is there for this purpose).
Installation on Debian/Ubuntu from debian archive files ===As an alternative, you might wish to exploit the debain dpkg/ apt/ synaptic package management system on Ubuntu and other Debian linux distributions using ( unofficial) [ http:/ /diablo. ucsc. edu/~wgscott/debian/coot_hardy/ pre-compiled debian packages for coot and its dependencies]. (These will be discontinued when official packages become available.)
To do so, simply download the deb files and install with the command
sudo dpkg -i *. deb
dpkg will complain if a dependency is missing rather than install a broken program.
=== Converting to rpm packages === You can convert any debian package file into an rpm file using the program ''alien''. I have done this and have made the [http:// diablo.ucsc.edu/ ~wgscott/ debian/ rpm/coot/ resulting packages] available.
=== Installation from source code via autobuild scripts ===
Note that the stereo effect is very sensitive to the vertical position of your eyes relative to the screen: if you don't see stereo, try tilting the screen.
For (re-)colouring maps blue:
# bluefy last map def blue_map_func1(): ls = map_molecule_list() ls.reverse() for map_mol in ls: if not map_is_difference_map(map_mol): set_map_colour(map_mol, 0. 1, 0.5, 0.68) graphics_draw() break add_key_binding("Blueify the Latest 2FoFc Map", "b", blue_map_func1)
# bluefy all 2FoFc maps def blue_map_func2(): for map_mol in map_molecule_list(): if not map_is_difference_map(map_mol): set_map_colour(map_mol, 0.1, 0.5, 0.68) graphics_draw() add_key_binding("Blueify all 2FoFc Maps", "B", blue_map_func2)
re-) colour coordinate molecules yellow:
# yellowify last coordinate molecule # Note: this may overwrite the 'usual' short-cut of 'y' to add a terminal residue def yellow_coords_func1(): ls = model_molecule_list() if len(ls) > 0: set_molecule_bonds_colour_map_rotation(ls[-1], 20) graphics_draw() add_key_binding("Yellowify last coordinates", "y", yellow_coords_func1)
# yellowify all coordinate molecules add_key_binding("Yellowify all coordinates", "Y", lambda: ([ set_molecule_bonds_colour_map_rotation(imol, 20) for imol in model_molecule_list()] , graphics_draw()))
==Python to Scheme and return==
Here some simple rules how to translate from Scheme to Python. To translate the other way around, i.e. Python to Scheme, just turn the rules around:
replace all '-' with '_' (except in equation when you need arithmetic '-' minus signs)# move the brackets around the argument(s)# separate multiple arguments by commas rather than spaces# replace 'define' for functions with 'def' and for assignments with an '='
# Make sure to use indentation for the function content [Python is indentation sensitive] and a ':' after the function definition.
A: Join the [[Coot Janitors]] project. This is a project to get new people involved in improving Coot, by acting as a clearing house for simple tasks which need doing, and providing documentation for doing them.
A: Yes this fails. Hydrogens are named differently to SHELX hydrogens. In principal this could be made to work if the dictionary was reworked to use SHELX hydrogen names. This would also fix the chi angles problem too of course.
==Image quality on NVidia cards==
A: The other language is a form of Lisp, called [http://en.wikipedia.org/wiki/Scheme_(programming_language) Scheme]. You can learn about programming python in many ways of course (not least the [http://docs.python.org/tutorial/ python tutorial], which is what I read first). The coot python extensions are described in the documentation. There is a standard trivial formatting change that has to be made to get the syntax right for python, see "Python Scripting" [[http://www.ysbl.york.ac.uk/~lohkamp/coot/wincoot-faq.html|here]]. There is a growing collection of coot scripts in this Wiki article.
(add-key-binding "Dynamic LSQ overlay" "Y" dynamic-lsq-match)