球状蛋白质分子中氨基酸紧密接触对性质的研究

采用CSU软件 (Contactsofstructuralunits) ,对 61种球状蛋白质分子中氨基酸紧密接触对 (Residue residuecontact)进行了研究 .重点研究了不同氨基酸在形成远程紧密接触对 (Long rangecontact)和近程紧密接触对 (Short rangecontact)时的不同能力 .发现氨基酸Leu,Val,Ile,Met,Phe,Tyr,Cys,Trp(疏性氨基酸 ,H)比较容易形成远程紧密接触对 ,氨基酸Glu,Gln ,Asp ,Asn,Lys,Ser,Arg,Pro(亲水氨基酸 ,P)比较难形成远程紧密接触对 ,而氨基酸Ala,Gly,Thr,His(中性氨基酸 ,N)在形成远程紧密接触对时能力一般 .它们平均每个氨基酸可形成 6 0 3 ,3 64和 4 43个远程紧密接触对 .同时它们在形成近程紧密接触对时能力非常接近 ,平均每个氨基酸可形成的近程紧密接触对数目在 2 3 4～ 2 85变化 ,差别非常小 .亲水氨基酸 (P) ,中性氨基酸 (N)和疏水性氨基酸 (H)在蛋白质分子结构稳定性上起着不同的作用     

全球信息网WWW上的化学资源

文献查阅是化学工作者必须掌握的基本技能之一.随着计算机网络技术的迅速发展,利用全球信息网WWW浏览和获取化学信息已成为查阅化学文献最重要的方法之一.在化学工作者中普及万维网WWW查阅各类化学信息和获取化学资源的方法是非常重要的.作者简要叙述WWW的基本原理和通过WWW获取化学信息和化学资源的方法,并给出部分Internet化学资源.     

Fast folding and comparison of RNA secondary structures

Summary Computer codes for computation and comparison of RNA secondary structures, the Vienna RNA package, are presented, that are based on dynamic programming algorithms and aim at predictions of structures with minimum free energies as well as at computations of the equilibrium partition functions and base pairing probabilities.An efficient heuristic for the inverse folding problem of RNA is introduced. In addition we present compact and efficient programs for the comparison of RNA secondary structures based on tree editing and alignment.All computer codes are written in ANSI C. They include implementations of modified algorithms on parallel computers with distributed memory. Performance analysis carried out on an Intel Hypercube shows that parallel computing becomes gradually more and more efficient the longer the sequences are.

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Schnelle Faltung und Vergleich von Sekundärstrukturen von RNA

Zusammenfassung Die im Vienna RNA package enthaltenen Computer Programme für die Berechnung und den Vergleich von RNA Sekundärstrukturen werden präsentiert. Ihren Kern bilden Algorithmen zur Vorhersage von Strukturen minimaler Energie sowie zur Berechnung von Zustandssumme und Basenpaarungswahrscheinlichkeiten mittels dynamischer Programmierung.Ein effizienter heuristischer Algorithmus für das inverse Faltungsproblem wird vorgestellt. Darüberhinaus präsentieren wir kompakte und effiziente Programme zum Vergleich von RNA Sekundärstrukturen durch Baum-Editierung und Alignierung.Alle Programme sind in ANSI C geschrieben, darunter auch eine Implementation des Faltungs-algorithmus für Parallelrechner mit verteiltem Speicher. Wie Tests auf einem Intel Hypercube zeigen, wird das Parallelrechnen umso effizienter je länger die Sequenzen sind.

     

可编程数据平面技术综述

在软件定义网络中,可编程数据平面提供的编程能力是网络功能虚拟化的基石。可编程数据平面技术的核心是可编程能力与数据包处理性能。首先从数据平面的可编程性出发,探讨现有数据平面的数据包处理抽象。然后,分别对数据平面实施的目标平台与对应平台上的主要流表算法进行介绍,详细论述现有数据平面技术。最后,探讨了高性能数据平面技术存在的关键挑战。     

航空机载软件全数字仿真测试系统的设计与实现

针对航空机载软件测试环境与开发环境冲突、测试环境可控性和通用性差、非干预性测试困难的问题,分析了全物理实装测试环境、半实物仿真测试环境的优缺点,研究了全数字仿真测试技术,设计并实现了一种航空机载软件全数字仿真测试系统。该系统由仿真核心平台、仿真工具组件、协同仿真组件和人机交互组件构成,提供了航空机载处理器、内存、外设等多种可重用库。提出了基于底层虚拟机的动态二进制翻译技术、协同仿真时间同步和数据通信机制等关键技术,实现了航空机载软件全数字高速闭环仿真运行。工程实践证明,该系统能达到降低硬件设备的依耐性、简化测试环境搭建的复杂度、提高测试效率约42%的目的。     

一种波形可移植性量化评估的模糊综合评判法

要实现高效低成本的波形跨平台移植,需要通过量化评估优选出可移植性强的波形来进行移植。针对波形可移植性量化评估重要性,分析了影响波形可移植性量化评估的重要因素,提出了一种有效的波形可移植性量化评估模糊综合评判法,以软件无线电硬件平台因素为例论述了该方法的实现原理及流程。通过验证表明,该方法合理可行,具有很好的应用价值。     

浅谈Java语言在计算机软件开发中的应用

Java编程语言是一种促进基本计算机语言和知识发展的重要工具,借助Java编程语言的帮助,计算机软件的开发成为支持中国信息技术领域繁荣发展的重要技术。文章对Java编程语言的概念及特点进行了阐述,并且深入探究了其在软件开发中实际应用。     

基于霍尼韦尔WEBs的智能照明监控实训系统设计与实现

从建筑智能化专业楼宇自控系统工程技术课程的实训教学实际需要出发,以模拟实际智能建筑现场为背景,开发了智能照明监控实训系统。该系统使用霍尼韦尔WEBs为系统软件平台,应用霍尼韦尔Spyder DDC控制器PUB6438S作为系统的控制核心,利用人体红外感应、定时时间和光照度感应等方法进行实时控制。学生利用该实训教学系统可以更加深刻理解楼控系统软硬件开发的整个生命周期,对楼控项目设计和编程调试等应用技术进行系统学习和实训,从而提升职业院校学生的工程实践能力。     

Error estimation in peak‐shape analysis of XPS core‐level spectra using UNIFIT 2003: how significant are the results of peak fits?

An error analysis for numerically evaluating random uncertainties in x‐ray photoelectron spectroscopy has been implemented in version 2003 of the spectra treatment and analysis software UNIFIT in order to improve the understanding of the statistical basis and the reliability of the model parameters for photoelectron spectra. The theoretical basis as well as two approaches to obtain error limits of the fit parameters have been considered. Several test spectra have been analysed and discussed. A representative example has been chosen to demonstrate the relevance of the error estimation for practical surface analysis. Suggestions for the minimization of errors in the peak‐fitting procedures are presented. Copyright © 2004 John Wiley & Sons, Ltd.     

Optimization of a GFAAS method for determination of total inorganic arsenic in drinking water

The new 10 μg l⁻¹ arsenic standard in drinking water has been a spur to the search for reliable routine analytical methods with a limit of detection at the μg l⁻¹ level. These methods also need to be easy to handle due to the routine analyses that are required in drinking water monitoring. Graphite furnace atomic absorption spectrometry (GFAAS) meets these requirements, but the limit of detection is generally too high except for methods using a pre-concentration or separation step. The use of a high-intensity boosted discharge hollow-cathode lamp decreases the baseline noise level and therefore allows a lower limit of detection. The temperature program, chemical matrix modifier and thermal stabilizer additives were optimized for total inorganic arsenic determination with GFAAS, without preliminary treatment. The optimal furnace program was validated with a proprietary software. The limit of detection was 0.26 μg As l⁻¹ for a sample volume of 16 μl corresponding to 4.2 pg As. This attractive technique is rapid as 20 samples can be analysed per hour. This method was validated with arsenic reference solutions. Its applicability was verified with artificial and natural groundwaters. Recoveries from 91 to 105% with relative standard deviation <5% can be easily achieved. The effect of interfering anions and cations commonly found in groundwater was studied. Only phosphates and silicates (respectively at 4 and 20 mg l⁻¹) lead to significant interferences in the determination of total inorganic arsenic at 4 μg l⁻¹.