Generation of molecular surfaces for graphic display |
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| Affiliation: | 1. Institute for Problems of Chemical Physics of RAS (IPCP RAS), Semenov Prospect 1, Chernogolovka 142432, Russia;2. A. N. Nesmeyanov Institute of Organoelement Compounds, Vavylova St. 28, B-334, Moscow 119991, Russia;3. Rega Institute for Medical Research, KU Leuven, Herestraat 49, 3000 Leuven, Belgium;4. Skolkovo Institute of Science and Technology, Nobel St. 3, Moscow 143026, Russia;1. Department of Pesticide Science, College of Plant Protection, Nanjing Agricultural University, Nanjing 210095, China;2. Jiangsu Agrochem Laboratory Co., Ltd., Changzhou 213000, China;3. State Key Laboratory of Pharmaceutical Biotechnology, Nanjing University, Nanjing 210093, China;4. Neonatal Medical Center, Children’s Hospital of Nanjing Medical University, Nanjing 210008, China;1. Universidad de Buenos Aires, Facultad de Medicina, Instituto de Investigaciones Médicas A. Lanari, Buenos Aires, Argentina;2. Consejo Nacional de Investigaciones Científicas y Técnicas, Universidad de Buenos Aires, Instituto de Investigaciones Médicas (IDIM), Laboratorio de Parasitología Molecular, Buenos Aires, Argentina |
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| Abstract: | A procedure is described for the generation of a variety of molecular surfaces using a ‘bit’ lattice, and avoiding the computational load imposed by geometric techniques. The procedure is well suited to minicomputers used to host calligraphic displays, and is flexible in terms of resolution and size of surface, and permits several styles of display. The procedure may be used as a standalone program, or as part of a real-time molecular manipulation system. |
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