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583. MOLECULE: GKS Graphical Display Package
by Dimitrios K. Agrafiotis and Andrew Streitweiser, Department of Chemistry, University of California, Berkeley, California 94720 and Henry S. Rzepa, Department of Chemistry, Imperial College of Science and Technology, London SW7 2AY, United Kingdom This program was developed with seven major goals in mind. It should: 1. Be able to provide interactive graphics of molecular systems of arbitrary size, as free as possible of visually distracting approximations 2. Offer a variety of display options 3. Be able to display structural information, such as interatomic distances, bond angles and dihedral angles 4. Be highly portable 5. Be easy to use, read and modify 6. Be capable of performing (pseudo) real-time rotations and vibrations 7. Be able to produce high-quality hard copies. To achieve machine-independence, the program is written in standard FORTRAN 77 and uses the Graphical Kernel System (GKS) graphics interface. GKS provides users with a common interface to a wide range of graphics display devices with differing capabilities and allows the program to be transported unaltered across computers and installations. Performance and output appearance, however, may vary from one device to another. MOLECULE can generate PostScript¬ page descriptions, which are programs to be run by a suitable interpreter. PostScript is a language used to convey a description of virtually any desired page to a printer, offering a large variety of graphics operators that help to produce high-quality hard copies. MOLECULE is a command-driven system. FORTRAN 77 (VAX) w/ GKS Graphics Lines of Code: 3399 |