作者：
Nunes, Jose M.Univ Geneva
Lab Genet & Biometry LGB CH-1227 Carouge Switzerland Univ Porto
ICBAS Inst Ciencias Biomed Abel Salazar P-4100 Oporto Portugal
Analyses of large projects involving human leukocyte antigen data often face the difficulty of having data sets gathered using distinct techniques and resolution levels. Furthermore, it is not infrequent that missing ...
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Analyses of large projects involving human leukocyte antigen data often face the difficulty of having data sets gathered using distinct techniques and resolution levels. Furthermore, it is not infrequent that missing and ambiguous data arise at one or several loci. This article describes a set of computer programs that can be used to work efficiently with these kinds of data. The tasks of concern include format conversions, data recoding and replacement, and Expectation-Maximization (gene-counting) based frequency estimation for sets with ambiguous cases either under the assumption of Hardy-Weinberg equilibrium frequencies or when some deviation exists (measured by a one degree of freedom inbreeding coefficient). This set of utilities is built on the top of a data format formally defined. The formal definition of the format allows to express all kinds of observable ambiguities, to define a simpler form for writing and manipulating data set files and to make substantial modifications of the actual symbols chosen to describe the data.
The paper presents the method of local plastic buckling to determine the available ductility of a steel structure subjected to seismic actions. The specialized computer program DuctRot-M is developed with the aim of d...
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The paper presents the method of local plastic buckling to determine the available ductility of a steel structure subjected to seismic actions. The specialized computer program DuctRot-M is developed with the aim of determining the ultimate plastic rotation. The main factors influencing the rotation capacity are included in program: section type, material properties, member dimensions, moment variation, buckling type, influence of strain rate, influence of cyclic loading, etc. The validation of computer program is performed comparing the obtained values with experimental and numerical results. The result accuracy is confirmed by this comparison. Due also to the friendly interface, the program is useful in design practice. (C) 2003 Elsevier Ltd. All rights reserved.
Personal agents are computer programs that learn users' interests, preferences, and habits and give them proactive, personalized assistance with a computer application. Such agents are analogous to personal assist...
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Personal agents are computer programs that learn users' interests, preferences, and habits and give them proactive, personalized assistance with a computer application. Such agents are analogous to personal assistants in the real-world work environment. Both agents and assistants gradually learn a target individual's preferences and habits to enhance collaboration and productivity.
The physical and chemical processes that influence contaminant transport through a saturated soil layer are presented. The computer program (1DContr) was developed based on existing analytical solutions for one-dimens...
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The physical and chemical processes that influence contaminant transport through a saturated soil layer are presented. The computer program (1DContr) was developed based on existing analytical solutions for one-dimensional transport of contaminants in a saturated soil layer. The computer program is given for pulse and continuous source. The formulation includes advective and dispersive transport as well as sorption and first order transformation. The computer program that is based on analytical solutions is recommended for preliminary design. (C) 2002 Elsevier Science Ltd. All rights reserved.
This paper examines the shading performance of polygonal courtyard forms with pentagonal, hexagonal, heptagonal and octagonal plans. In order to carry out the investigation, a computer program was developed to calcula...
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This paper examines the shading performance of polygonal courtyard forms with pentagonal, hexagonal, heptagonal and octagonal plans. In order to carry out the investigation, a computer program was developed to calculate the shaded and sunlit areas generated in any of the examined geometries with any dimensions. The computer model is based on a set of equations, which were derived through analysing the relationship between the sun location at any time and the courtyard form. A parametrical study, carried out by the designed model, showed that the courtyard proportions and geometry have a considerable influence on the shading performance of courtyard forms. (C) 2005 Elsevier Ltd. All rights reserved.
Roadheader, one of the mechanized excavation equipments, has an exceptional place among the other excavation methods. Determination of the stability states of the roadheader is an important matter for the efficiency o...
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Roadheader, one of the mechanized excavation equipments, has an exceptional place among the other excavation methods. Determination of the stability states of the roadheader is an important matter for the efficiency of excavation. For this reason, a new method has been developed to obtain numerical values that indicate stability states of such machines. The method has been developed for both longitudinal and transverse cutting head type machines by establishing stability equations for states of turning around the vertical axis, turning to the side direction, turning to the back direction and sliding in all cutting modes. A computer program based on these equations has been written in C++ programming language. The stability analysis can be made either for one point on the excavation face or whole face. Obtained values can be used to compare the stability states of various roadheaders in the same cutting condition as well as using to compare the stability states of a roadheader. A stability index that has also been established can only be used to compare a stability state of a roadheader in different cutting conditions. The developed methodology was tested in a transverse cutting head type roadheader for arcing, lowering and lifting modes. It has been obtained that the stability state of turning around the vertical axis of the roadheader is the most critical state especially in arcing mode. The effects of the machine design parameters, cutting head and tunnel parameters on the stability of the roadheaders can also be investigated by this method. (c) 2005 Elsevier Ltd. All rights reserved.
In many cases of protein structure determination by NMR a high-quality structure is required. An important contribution to structural precision is stereospecific assignment of magnetically nonequivalent prochiral meth...
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In many cases of protein structure determination by NMR a high-quality structure is required. An important contribution to structural precision is stereospecific assignment of magnetically nonequivalent prochiral methylene and methyl groups, eliminating the need for introducing pseudoatoms and pseudoatom corrections in distance restraint lists. Here, we introduce the stereospecific assignment program that uses the resonance assignment, a preliminary 3D structure and 2D and/or 3D nuclear Overhauser effect spectroscopy peak lists for stereospecific assignment. For each prochiral group the algorithm automatically calculates a score for the two different stereospecific assignment possibilities, taking into account the presence and intensity of the nuclear Overhauser effect (NOE) peaks that are expected from the local environment of each prochiral group (i.e., the close neighbors). The performance of the algorithm has been tested and used on NMR data of a-helical and P-sheet proteins using homology models and/or X-ray structures. The program produced no erroneus stereospecific assignments provided the NOEs were carefully picked and the 3D model was sufficiently accurate. The set of NOE distance restraints produced by nmr2st using the results of the SSA module was superior in generating good-quality ensembles of NMR structures (low deviations from upper limits in conjunction with low root-mean-square-deviation values) in the first round of structure calculations. The program uses a novel approach that employs the entire 3D structure of the protein to obtain stereospecific assignment;it can be used to speed up the NMR structure refinement and to increase the quality of the final NMR ensemble even when no scalar or residual dipolar coupling information is available. (c) 2006 Wiley Periodicals, Inc.
A new algorithm, the classified enumeration, is proposed to solve computer aided molecular design of solvents for separation processes. In this method, all groups are sorted into two parts, skeleton groups and functio...
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A new algorithm, the classified enumeration, is proposed to solve computer aided molecular design of solvents for separation processes. In this method, all groups are sorted into two parts, skeleton groups and function groups. The former can constitute alkane, arene (aromatic hydrocarbon) or cycloalkane, the latter are the remainder. The skeleton groups are combined to form molecules of alkane, arene or cycloalkane as the base by enumeration. The function groups replace the corresponding skeleton groups in the molecule of the base to build other molecules. The properties of all acquired molecules are calculated using group contribution methods to find the proper solvents for the separation process. When considering industrial practicability, the number of kinds of function groups are limited so that combinatorial explosion is avoided. Finally, several examples are presented to illustrate the availability of the method.
In this work, the foundations of the classification method are laid out and the possibilities of application of this method to problems of a choice of a rational technical solution referring to industrial installation...
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In this work, the foundations of the classification method are laid out and the possibilities of application of this method to problems of a choice of a rational technical solution referring to industrial installations are presented. The presented method is based on the notion of the shortest dendrite that corresponds to the best classification of features of a system or product. Measures of distance between objects are defined, and the way of selection of solutions based on distributed features and corresponding measures of process usefulness is proposed. As an example, the selection of an absorption system with a plate column under modernization is presented. This system is used for the elimination of orthodichlorobenzene from the stream of hydrogen chloride.
To calculate the beam transport in the ion optical systems accurately, a beam dynamics computer program of third order approximation is developed. Many conventional optical elements are incorporated in the program. Pa...
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To calculate the beam transport in the ion optical systems accurately, a beam dynamics computer program of third order approximation is developed. Many conventional optical elements are incorporated in the program. Particle distributions of uniform type or Gaussian type in the (x, y, z) 3D ellipses can be selected by the users. The optimization procedures are provided to make the calculations reasonable and fast. The calculated results can be graphically displayed on the computer monitor.
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