DRAW: Molecule Drawing Program Version 2.00

reportActive / Technical Report | Accession Number: ADA211727 | Open PDF

Abstract:

DRAW is a graphical program for manipulating and interpreting input and results files for MOPAC. Many common terminals and hard copy devices are supported. For manipulating the data, a machine-independent editor is provided which allows atoms to be added to a data-set, positions of atoms to be modified, atom types and connectivities to be redefined. DRAW allows molecular fragments to be added together to form larger systems. Three graphical representations of molecules are supported line drawings, ORTEP and NAMOD. Using line drawings, the normal modes of vibrations can be displayed. The graphical representations can be rotated under user control. When used in conjunction with the program DENSITY, electron density contour maps can be generated. Geometric quantities such as bond lengths, nearest neighbors, and torsion angles can be displayed on request.

Author(s):
Storch, Donn M.
Author Organization(s):
FRANK J SEILER RESEARCH LAB UNITED STATES AIR FORCE ACADEMY CO
Descriptive Note:
Technical rept. Oct 1988-Jun 1989
Pagination:
0105

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release
Distribution Statement:
Approved For Public Release; Distribution Is Unlimited.

RECORD

Collection: TR
Identifying Numbers
Report Number(s):
FJSRL-TR-89-0006
Task Number(s):
F3
Project Number(s):
2303
Monitor Series:
AFOSR
 Subject Terms
Joint Capability Areas:
JCA_5_Command and Control; JCA_5.4.3_Establish Rule Sets; JCA_5.4_Decide; JCA_6.1.3_Switching and Routing; JCA_6.1_Information Transport; JCA_6_Net Centric; JCA_1_Force Support; JCA_1.3_Human Capital Management; JCA_1.3.2_Personnel Management; JCA_5.5.2_Task; JCA_5.5_Direct; JCA_1.2_Force Preparation; JCA_8.2.5_Strengthen Global Defense Posture; JCA_8.2_Shape; JCA_8_Building Partnerships
Modernization Areas:
Quantum Science and Computing
Communities of Interest:
Materials and Manufacturing Processes
Descriptor(s):
*MOLECULAR STRUCTURE, *ANGLES, *ENGINEERING DRAWINGS, VIBRATION, MOLECULES, QUANTITY, ELECTRON DENSITY, ATOMS, LENGTH, COMPUTER GRAPHICS, GRAPHICS, USER NEEDS, GEOMETRY, MAPS, BONDING, FRAGMENTS, TORSION, HARD COPY, CONTOURS, TERMINALS, DENSITY, LINES(GEOMETRY), FILES(RECORDS), CONTROL
Field(s)/Group(s):
Printing and Graphic Arts
Keyword(s):
MOPAC SEMIEMPIRICAL CALCULATIONS COMPUTER GRAPHICS DRAW MOLECULAR STRUCTURE, PE61102F, WUFJSRL2303F307
Report Date:
1989 Jul 01