Graphics terminal

About three-quarters of the 48 companies were using a VAX 11/780, 785, or 730 as their primary computing platform. The IBM 3033, 3083, 4341, etc. were being used for molecular modeling at about a third of the companies. (The percentages add up to more than 100% because larger companies had several types of machines.) The most commonly used graphics terminal was... 

The TGRAPH command is to be used to produce an alpha-numeric output if the user does not have a graphics terminal. 

The BIOGRAF program was run on a Micro VAX II conmuter equipped with an Evans and Sutherland PS390 graphics terminal. The size of coal structures evaluated, and the duration of molecular dynamics runs, were limited by the available computing speed of this system (a 5000-step, 10-ps molecular dynamics run for a 1040-atom structure, with about 75,000 van der Waals interactions per step, required about 100 hours of computation). 

The majority of MAECIS is written in FORTRAN with a few assembler routines for database management. The program is currently running on a VAX 11/780 computer system and uses Tek-ronix 4025 graphics terminals as the primary input/output devices. MAECIS is a command oriented program that has a built in prompt mechanism to assist the user with commands. It also has a HELP section that provides the user with detailed online instructions. 

E Series Central Processor 85 Mbyte Fixed Disc 320 Kwords Memory Magnetic Tape Unit 4 Graphics Terminals 3 Non-Graphics Terminals Plotter... 

In the display of a three dimensional object on a plotter or on the screen of a graphics terminal, the task of deciding which parts of the object should be shown and which should be eliminated (or made dashed) is known as the "hidden line problem". 

The Computer. AXIS is written in FORTRAN and runs on a GEC 4000 series multi-user mini computer equipped with a Graphics Option Controller (GOC) model 5250, manufactured by Sigma Electronic Systems Ltd. This device converts an alphanumeric visual display unit into a graphics terminal, allowing independent use of the alphanumeric and graphics screens. In addition, it provides cursor handling facilities and the ability to selectively erase part of the screen. All of these features are utilised by AXIS. 

An X-ray diffraction pattern may be thought of as a three-dimensional "information surface", with two spatial dimensions and the third related to the film blackening. AXIS allows the user to examine this surface by enabling two-dimensional sections to be displayed on the graphics terminal. Such sections fall into three distinct types, each of which assists the user in making particular decisions as the analysis proceeds. 

Color or monochrome graphics terminal is used for parameter setup and data presentation. 

Figure 1. Production of an EEM for a hypothetical substance. (1A) Excitation and emission spectra of substance (B) Fluorescence of cuvet filled with substance in A and illuminated with a polychromatic beam (C) EEM image at exit slit plane of analyzing monochromator (D) Isometric projection of EEM as may be obtained on an oscilloscope or graphics terminal.

ReGIS is the protocol for the currently available DEC graphics terminals. It differs from the bit encode scheme of the 4010 and 4014 devices as well as the... 

Pre-1980 —Flat File Storage of Chemical Structures. Computers consisted of mainframe machines (e.g., IBM 3090) and small minicomputers (Digital, Prime). Users connected through low speed serial connections, using "dumb" terminals (no graphics capability) or monochrome vector graphics terminals such as Tektronix and Imlac. Chemical structures were mainly stored as either (l)individ-ual structure files, indexed by name, and handled one or a few structures at a time or (2) in a flat-file database accessed by record number (26). A typical corporate database contained up to a few tens of thousands of structures. 

The molecular structure entry is performed by sketching the compounds on a graphics terminal, and then storing them as connection tables. The geometries are optimized using adapt s molecular mechanics routine, MM2 [4], the semiempirical molecular orbital program (MOPAC) [5], or a newly developed extended Huckel method [6]. 

Molecular Manipulation and Superimposition. To facilitate molecular comparisons, a variety of computer graphic techniques are available for three-dimensional manipulation and display of the stored structures in the library file (12,13). In our laboratory lateral stereo pair views of either single line or ball and stick models are displayed on a Tektronix 4014 graphics terminal linked to a Univac 1100/42 computer. 

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