Coot Tips
28 April 2009
The program COOT by Paul Emsley and Kevin Cowtan is simply, awesome (pdf paper citation). I usually read the ‘tips’ that appear when starting the program and wanted to compile a comprehensive list:
Note: if this is difficult to read try pressing ‘ctrl then +’ as needed
- To centre on a particular atom, click it with middle mouse (if that doesn’t seem to work it may be because the molecule is not active).
- + and – on the keyboard change the contour level
- To move just one atom (in Regularize, RS Refine, or Rotate/Translate mode) use Ctrl Left-mouse to pick an atom (you have to be accurate).
- There is a mailing list for Coot development and discussion at http://www.jiscmail.ac.uk/lists/coot.html
- Use Ctrl Left-mouse to drag (for example) a blob of density to the the pointer
- Slow recentering? Try Draw -> Smooth Recentering and reduce the number of steps
- Want distance of the atoms to the pointer? Use Measures -> Pointer Distances…
- To label an atom: Shift Left-mouse on it
- To make atoms be insensitive to clicking, deactivate it by unclicking that molecule’s "Active" button in the Display Control window
- Can’t label or centre on some symmetry atoms? It’s a known bug. (For now, drag that atom closer to the centre of the screen).
- Use function key ‘F8′ to make a rendered snapshot.
- Use the Ctrl to rotate the view when changing Chi angles.
- Too many cis peptides when using dragged refinement? Use the
Planar Peptide Restraints’ suggested in the Coot FAQ. - Use the Ctrl to rotate the view when using Delete.
- When in skeleton mode, new skeleton can be displayed around the current point using the ‘S’ key.
- When in baton mode, the baton can be rotated independently from the Guide Points by using the ‘B’ key (it’s a toggle).
- When Editing Chi Angles, switch between the angles quickly using the ‘1′, ‘2′, ‘3′, ‘4′ keys.
- Use "refmac-extra-params" to pass refmac your personal parameters.
- Use "(poly-ala imol)" to turn molecule number imol into poly-ALA. Use "(poly-ala imol ‘SER)" to turn it into poly-SER."
- Use "(fit-protein imol)" to rotamer search and real-space refine all residue of molecule number imol."
- Shift Ctrl right-mouse rotates round screen Z.
- Ctrl + right-mouse + horizontal (left to right) mouse movement moves the view in screen Z.
- Ctrl right-mouse up-down drag changes the slab.
- Use "(set-idle-function-rotate-angle 0.05)" to change the spin speed.
- (ligand-expert)" enables the GUI editting of some ligand-fitting parameters.
- Use keyboard + and – to zoom in Ramachandran and Kleywegt Plots
- The ‘U’ key undoes last nagivation (e.g. re-centering on new pdb file).
- The ‘D’ and ‘F’ keys change the clipping/slabbing.
- (view-matrix)" prints the current view matrix, useful for molscript, perhaps.
- Baton-building low resolution maps is better done with maps that have increased sampling rate (2.0 or 2.5).
- Coot can read SHELXL .res files. (It can write them too.)
- Clear All Atom Labels" can be found under Measures -> Distances & Angles. Obviously.
- Esc and Return are keyboard accelerators for Reject/Accept for Refinement and Regularization.
- Restraints for alpha helical and beta-strand structure can in the Refinement/Regularization Control Panel
- To disable coot tips: add "(no-coot-tips)" to your ~/.coot file.
- It is possible to accidently invert chiral centres. Use Validate -> Chiral Centre to check.
5 Comments
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Posted by Sean |
Categories: Crystallographic Data Processing, Scientific Publication and Presentation | Tagged: Coot, Crystallographic Data Processing, Learning, Macromolecular Crystallography |