多幅图像显示时色彩压缩的聚类统计算法

在计算机上，同屏显示多幅彩色图像会出现明显的失真（即色彩损失）．特别是两幅图像色调差别较大时（如一幅暖色调，一幅冷色调），失真现象更为严重．为了克服这一缺陷．本文在参考Ｋ均值聚类算法的基础上，优化了初始聚类中心，提出了色彩压缩的聚类统计算法．本算法简单实现较为方便，克服了Ｋ均值算法对色彩压缩不均衡及彩色失真度大的缺点．且不需经过多次迭代即可得到令人满意的效果，压缩时间短．     

船舶二维图形交换研究

船舶图形在不同的CAD系统中交换，共享是现代船舶工业发展的需求，主要论述了如何在2个船用CAD软件（CADDS5和TRIBON M1）之间进行二维图形信息的交换。     

平面图形设计中符号学原理的应用

图形设计作为视觉传达设计中的一种符号设计现象,其成功所在,是能得以运用设计的符号学原理不断挖掘其深处的潜质,并与人们内心深处的情感相沟通。因此,应该对此进行研究与认识,发掘更多的符号特性,更准确的运用符号学原理来进行平面图形设计。     

A molecular modelling study of the interaction of noradrenaline with theβ 2-adrenergic receptor

Summary A model of the ₂-adrenergic receptor binding site is built from the primary structure of the receptor, experimental evidence for key binding residues and analogy with a homologous protein of partially determined structure. It is suggested that residues Trp-109, Thr-110 and Asp-113 are involved in ligand binding. Noradrenaline is successfully docked into this model, and the results of an INDO molecular orbital calculation on the complex indicate that a charge transfer interaction between Trp-109 and noradrenaline is possible.     

MENTHOR,a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural,biologic, physical,or geometric properties

Summary MENTHOR is a database system for the storage and retrieval of three-dimensional coordinate and charge information on molecules as well as of traditional biological and physical properties. Our molecular graphics system retrieves from MENTHOR structural information in individual molecules and receptor map/macromolecular binding site hypotheses. Substructural searches of MENTHOR are used to find starting coordinates for molecular modeling and traditional database searches of MENTHOR identify compounds for which modeling is needed. It also forms the data to be searched with ALLADDIN, our substructure/geometric search program. MENTHOR expedites molecular modeling by organizing previous work and facilitating transmission of information between individuals. Examples from modeling of D-2 receptor agonists are shown.     

Cavity search: An algorithm for the isolation and display of cavity-like binding regions

Summary A set of algorithms designed to enhance the display of protein binding cavities is presented. These algorithms, collectively entitled CAVITY SEARCH, allow the user to isolate and fully define the extent of a particular cavity. Solid modeling techniques are employed to produce a detailed cast of the active site region, which can then be color-coded to show electrostatic and steric interactions between the protein cavity and a bound ligand.     

Forces in molecular recognition: Comparison of experimental data and molecular mechanics calculations

Summary NMR studies of the rotation barrier of the disaccharide of the glycopeptide antibiotic vancomycin have been used to test the performance of computer simulation techniques using molecular mechanics. In the absence of any solvated water, no correlation could be found between experiment and calculation. By introducing solvent water molecules into the binding region of the antibiotic, the NMR results could be simulated both qualitatively and quantitatively within experimental error without using massive computational resources.     

On the representation of electrostatic fields around ab initio charge distributions

Summary We compare two methods (Mulliken charges and a distributed multipole analysis, DMA) of representing an ab initio charge distribution for calculating the electrostatic field and potential outside the molecule, using pyrimidine and the RNA base uracil as examples. This is done using a 3-D graphical display of the electrostatic fields, which, when used with real-time rotation, zooming and clipping, has many advantages for qualitatively assessing the electrostatic interactions of a molecule. The errors involved in using Mulliken point charges may be of similar magnitude to the total electrostatic field in regions which are important in recognition processes. The DMA representation automatically includes the anisotropic electrostatic effects of non-spherical features in the charge distribution of each atom, and yet the displayed electrostatic fields around the atoms which have lone-pair density do not show marked anisotropy.     

二元函数图形绘制及特征分析实验设计

介绍了二元函数及图形的相关数学知识和mathematica软件平台的相关知识，给出了二元函数及图形特征研究的内容与要求，完成了空间图形及交线、截面、相交面的图形的绘制及相关特征分析的实验设计。