Volume 2 Chapter 10 Search Menu SAVE MOL2

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SAVE POSTSCRIPT

Function

SAVE POSTSCRIPT is used to specify that an output file should be created, containing the chosen representations of all kept hits, in thePostScript language.

This file may be sent to a PostScript printer, or displayed using a PostScript interpeting program, such as xpsview on Silicon Graphics computers, or pageview on Sun computers.

Remarks

Before Version 5.05 (April, 1993) of the CSDS software, it was only possible to create PostScript representations of the 2D (chemical) diagram.

It is now possible to create any combination of 1D, 2D and 3D representations. Each of these diagrams is referred to as a "frame".

There are four "frame" types, each of which corresponds to the titles of the Display menus: 1D, 2D, 3D and 2D/3D.

The number associated with the PostScript command may be thought of as the number of frames per page, rather than the number of QUEST entries per page.

Thus, if 1D and 2D/3D frames are requested for each `hit' entry, at 8 frames per page, 4 database entries will fit on each page.

Basic QUEST Procedure

SAVE POSTSCRIPT is not available in Basic QUEST, although users of QUEST3D may, of course, request this form of output using the alphanumeric interface. Alphanumeric request of PostScript output is described here, however, for users of QUEST3D who wish to type their instructions instead of using the menu interface..

The original QUEST instruction, SAVE POSTSCRIPT, still works, and results in the default output of 2 frames per entry (1D and 2D/3D) and 16 frames per page:

The number of frames per page may be specified, as before, by adding an asterisk and then the required number of frames (1,2,4,8,16,32 and 64 are allowed)

The required frames are indicated by placing them, separated by hyphens, between the POST and the frame count, if present.

Any or all of the frame types may be requested, for example,

Graphics QUEST3D Procedure

Please read the description for "frames" above. The menu-based procedure is simpler than the non-graphical one, as it is driven by prompts which explain what information is required:

Notes

The selection of frames saved for each kept entry is determined by the options on the SAVE POSTSCRIPT command line. However, the options used to display the 3D diagram in PostScript, for a given entry, are determined by the current settings in the 3D diagram at the moment when the entry was "KEPT". Thus, by using the PACK command when examining the first hit, and then selecting fast-continue-with-diagrams, for example, it is possible to exert some control over the resulting PostScript images.

Example Output

These 3 diagrams were created with the instruction:

Related Command

INFO

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