Chemical Crystallography

+ Frequently Asked Questions

- Crystals Primer

1. Getting Started

2. Example Of A Simple Structure

3. Overview

4. Basic Data Input

5. The Model

6. Fourier Maps

7. Preparation Of The Model

8. Refinement

9. Seeing The Structure

10. Molecular Geometry

11. Publication Listings

12. Cif Files

13. Documentation

14. The Data Base

15. Tailoring The Program

16. Advanced Refinements

17. Scripts

18. Data Lists And Instructions

+ Crystals User Guide

+ Crystals Manual

+ Cameron Manual

+ Index

Fri Jun 2 2000

Crystals Primer

Chapter 9: Seeing The Structure

9.1: Listing the coordinates

9.2: Simple plots

9.3: Graphics


9.1: Listing the coordinates

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

      !\DISPLAY      low/medium/high



9.2: Simple plots

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.

     !ATOM             FIRST UNTIL LAST
     !ATOM             C(10) UNTIL C(15)  P(1)


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.

9.3: Graphics

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.

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