When saving the selection or colour protocols you have the option to save for either the current coordinate file or for all models. CCP4mg is a molecular-graphics program that is designed to give rapid access to both straightforward and complex static and dynamic representations of macromolecular structures. It is a nice interface to saving multiple program status. You can also try other options on the View menu: Note that the Picture Wizard changes are applied to all visible models and by default any existing display objects are deleted. The window has a table showing the parameter value and the colour for that parameter value.


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This category is essential if the vectors are described in terms of atom positions. Click on the icon next to the name of the data object to open a menu with several cvp4mg including Picture wizard. The image is represented on the display table by a line containing a slider that controls the image scale and a button to open a window to control its position.


Ccp4mg communication between programs is peformed with sockets. Movies may look impressive if there is lots on the display and lots of movement but an audience will probably understand more about the chemistry if the pictures are simple and the movie is slow and repeats.

If you draw the surface now it will completely wrap around all of the selected atoms as if they were a single separate molecule.


ccp44mg Lengthy processes that would otherwise stall the GUI unacceptably for example, downloading files and long calculations are performed in a separate thread. The Movie editor dialogue.


CCP4 Molecular Graphics – Saving program status

This also works with a local MG archive file or a remote MG archive file. Fog can be switched on or off in the Display menu. D 66— University A to Z Departments. The scene can be saved to file using the Render. The appropriate superposition transformation matrices can be applied to any electron-density maps associated with the superposed models.

Secondly, additional widgets allow selection by criteria such as contact distance and atom and residue properties. To display only a limited region of map, that covers the selected ligand atoms, go to the first column in the map display object line currently labelled Extent Note that the Picture Wizard changes are applied to all visible models and by default any existing display objects are deleted.

CCP4MG — University of Leicester

You may want to slow the movement down by changing the time from 2 seconds to something greater. Note that the selection radius is set quite high to 7A and that, by default, solvent and the named central atoms that is the MTX ligand are excluded from the selection.

Click on the icon and you will see a menu with options to control among other things the object visibility. The Cell edges can also be toggled on from the Crystal Display style menu.

Section D, Biological crystallography Presenting your structures: This category is compulsory.

Department of Chemistry

However, a brief survey of other molecular graphics helps to illustrate their broad utility in different areas of biomolecular science. If screenshots are made offscreen then the main display window is not necessarily updated but you will see the progress reported in the top bar of the movie window.


Section D, Biological crystallography For example, the user can optimize the superposition of the residues forming a particular ligand-binding site.

To define the two extreme contour levels you need to save snapshots at the two extreme positions. We want to make a movie in which the electron density contouring alternates smoothly between two contour levels.

Presenting your structures: the CCP4mg molecular-graphics software

It is a nice interface to saving multiple program status. These things are possible if you export the hydrogen bonds as vectors – see Displaying vectors. The tree view selection tool is used in many parts of the program.

To prevent this go to the menu in the second column to select the context for the surface and select All peptide. The equivalencies are determined to a first approximation by matching graphs built on a vectorial representation of the secondary-structure elements Artymiuk et al. To optimise superposition of the MTZ binding site select the Match close residues method and then for the fixed model select the MTZ binding site by clicking the model selection widget lassoo and pick Neighbourhood.

For a non-stereo image the same size as the CCP4mg graphics window just click the Render button.