Perspective drawings of molecular structures by computer

✍ Scribed by P. Polihroniadis; W.J. Perkins; E.A. Piper

• Book ID: 103050412
• Publisher: Elsevier Science
• Year: 1973
• Tongue: English
• Weight: 626 KB
• Volume: 6
• Category: Article
• ISSN: 0010-4809
• DOI: 10.1016/0010-4809(73)90026-8

✦ Synopsis

Where molecular structures need to be manipulated and calculations on each conformation related to the display, physical models are not suitable. This computer system allows for operator interaction and provides both intermediate and final displays. A basic drawing, incorporating perspective for the atoms, is used during manipulation of the structure. For the final conformations, perspective is applied to the bonds and size discrimination to the atoms. The program calculates the perspective scaling ratios of the bonds and atoms and organizes connections of the bonds to the associated atoms in any orientation. This allows for removal of hidden lines where an atom is obscured by its own bond or bonds. Overlapping of bonds and atoms with each other is avoided as far as possible by selection of a suitable orientation of the whole structure.