This appendix correlates equivalent commands in the newer X-BUILD applications and the old X-Ray tools palette.
The style of the X-BUILD interface is more advanced than the X-Ray interface, so many of the tools do not map directly to an equivalent tool.
All map management is now global to QUANTA, so that general changes such as contouring can be made directly from the Maps Management table, and the complete list of options is available from the Map dialog box.
The Maps Management table is accessed using the Map table command on the DRAW menu. The Maps Management table can also be opened using the keyboard command map table show.
The Map dialog box is opened with the keyboard command maps.
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Options... dialog box
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These three commands are replaced by the display of the map (of radius defined by the user) at the current display position. The position can be defined by any of atom name, atom coordinate, bones pointer position, or text label. It is possible to set the map to be displayed only on the atoms, using the map management table tool Contour/options, although this is not recommended within the X-BUILD functionality, as it can result in false bones and related problems. You should refer to Chapter Managing Maps for information on the limitations on the use of map display options and the X-AUTOFIT:X-BUILD functionality. |
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X-BUILD is based on the use of a display sphere of map, (plus atom display and bones) at a point in space. The use of a display sphere is implicit within the X-AUTOFIT:X-BUILD functionality |
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X-BUILD always automatically displays the map. For general map control, you should use the map management table, where the individual map levels can be turned on and off. |
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X-BUILD always displays the symmetry atoms. For general control, refer to the object management table, where the visibility of the symmetry atoms can be turned on and off. |
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Control the number of atoms displayed with the option X-BUILD/Options.../Atom radius. If the radius of atom display is 1000 or greater, then all atoms are displayed, that is, no test is made on their position. Any radius less than 1000 results in a test on the radius of atoms to display about the current center point. |
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Display Options...
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Use the maps palette, accessible using the keyboard command maps |
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X-BUILD/Build atoms/Edit chi angles X-BUILD/Build atoms/Edit backbone tor |
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X-BUILD automatically cuts the chain on any edit. This tool therefore has no equivalent. |
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X-BUILD has no equivalent: the bonds are always calculated, as necessary, after any editing. Otherwise it is possible to use the EDIT menu option Bond options |
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X-BUILD/Build atoms/Regularize |
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X-BUILD/Build atoms/...Fix atoms |
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The undo in X-BUILD is slightly different from the Undo under X-Ray. The undo in X-BUILD re-reads the packed data file and checks for changes from the most recently saved changes. Hence, the X-BUILD equivalent will undo multiple changes up to the last saved change. |
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Saves to the local packed datafile that is used for the undo option and a recover option. X-BUILD/Save build atoms to MSF Writes the data to file as a MSF file and can therefore be re-read at any time, outside of the X-BUILD application. |
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