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Elsevier

Molecular Graphics on The IBM ® PC Microcomputer

  • 1st Edition - January 1, 1985
  • Latest edition
  • Author: James Henkel
  • Language: English

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… Read more

Description

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

Introduction

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

Commands

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

References

Appendix A: Messages And Prompts

Appendix B: How PCMODEL Handles Coordinate Data

Appendix C: Interfacing Data Entry Devices

Appendix D: Advanced Applications

Index

Product details

  • Edition: 1
  • Latest edition
  • Published: January 1, 1985
  • Language: English

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