chem cryst
CRYSTALS manual
University of Oxford

Crystals Primer

Chapter 9: Seeing The Structure

9.1: Listing the coordinates

9.2: Simple plots

9.3: Graphics

The atomic parameters are kept in LIST 5. They can be displayed on the screen or printer file with:

       !\DISPLAY      low/medium/high
       !END
 

A join-the-dots diagram of all or part of the current structure can be displayed on the line printer and text terminal with MOLAX.

      !\MOLAX
      !ATOM             FIRST UNTIL LAST
      !PLOT
      !EXECUTE
      !
      !ATOM             C(10) UNTIL C(15)  P(1)
      !PLOT
      !EXEC
      !END
 

These instructions produce a plot of the whole structure, and then of a phenyl group and its associated phosphorus. The directive EXECUTE forces the execution of the preceeding commands without waiting for the END.
 

The graphics program 'CAMERON' is integrated into CRYSTALS, and can be accessed on suitable terminals (VGA on PCs, TEKTRONIX 4010 on VAXs) directly. If the structure is modified in Cameron, it may be re-input to the CRYSTALS data-base. Cameron has its own user manual.

       !\CAMERON
       !END
                               (Commands, mouse or cursor actions to
                                control CAMERON)
                               END
       !\USE CAMERON.L5
 

 


[Getting Started | Example Of A Simple Structure | Overview | Basic Data Input | The Model | Fourier Maps | Preparation Of The Model | Refinement | Seeing The Structure | Molecular Geometry | Publication Listings | Cif Files | Documentation | The Data Base | Tailoring The Program | Advanced Refinements | Scripts | Data Lists And Instructions ]