Molecular Graphics on The IBM ® PC Microcomputer

Molecular Graphics on The IBM ® PC Microcomputer

1st Edition - January 1, 1985

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  • Author: James Henkel
  • eBook ISBN: 9780323161145

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Molecular Graphics on the IBM® PC Microcomputer is a five-chapter manual that introduces the PC MODEL computer package and provides step-by-step instructions for using it. The PCMODEL is a program to draw and manipulate molecules in graphic form using the IBM® PC, PC/XT, PC/AT, PCjr, and true compatible personal computers. This package has a multitude of applications, including the study of conformations of organic molecules and the organization of organic and inorganic crystal lattices. This manual is organized into two sections, namely, the tutorial and reference parts. The first section is highly tutorial in nature because this is where one will need it most, whereas the later section is much less so because one will then be more in need of detailed reference material. This book will be of value to organic chemists and researchers.

Table of Contents

  • Preface


    Creating A Working Diskette

    Computers with Two Disk Drives

    Computers with One Disk Drive

    Computers with Fixed Disks

    Using The PCMODEL Program

    Examining the Files on the Program Disk

    Starting the PCMODEL Program

    A Note Regarding Program Operation

    Data File Conventions

    The Display Screen

    The Display Window

    The Communication Line

    The Command List

    The HELP Command (H)

    The CATALOG Command (F10)

    The CONFIGURE Command (F9)

    The CIRCLES Command (F3)

    Entering Data From The Keyboard


    General Information and Command Structure Example

    Add File (A)

    Angle (V)

    Circles (F3)

    Color (C)

    Compare (K)

    Configure (F9)

    Distance (D)

    Edit (E)

    File (F)

    Get Coordinates (G)

    Invert Image (I)

    List (L)

    Motion (M)

    Number (N)

    Orient (O)

    Printer Form Feed (F6)

    Printer Line Feed (F5)

    Print Screen (Shift-PrtSc)

    Quit (Q)

    Rotate (R)

    Scale (F2)

    Size (S)

    Translate (T)

    Unadd (U)

    Unconditional Return (F1)

    X-Ray Coordinate Conversion (X)

    Sample Data Files

    Example Sessions


    Appendix A: Messages And Prompts

    Appendix B: How PCMODEL Handles Coordinate Data

    Appendix C: Interfacing Data Entry Devices

    Appendix D: Advanced Applications


Product details

  • No. of pages: 110
  • Language: English
  • Copyright: © Academic Press 1985
  • Published: January 1, 1985
  • Imprint: Academic Press
  • eBook ISBN: 9780323161145

About the Author

James Henkel

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