|Author||Boghossian, N. P. ♦ Kohlbacher, O. ♦ Lenhof, H. P.|
|Source||ACM Digital Library|
|Publisher||Association for Computing Machinery (ACM)|
|Subject Domain (in DDC)||Computer science, information & general works ♦ Computer programming, programs & data|
|Subject Keyword||Libraries ♦ Molecular modeling ♦ Rapid software prototyping|
|Abstract||In the next century, virtual laboratories will play a key role in biotechnology. Computer experiments will not only replace some of the time-consuming and expensive real-world experiments, but they will also provide insights that cannot be obtained using "wet" experiments. The field that deals with the modeling of atoms, molecules, and their reactions is called Molecular Modeling. The advent of Life Sciences gave rise to numerous new developments in this area. However, the implementation of new simulation tools is extremely time-consuming. This is mainly due to the large amount of supporting code that is required in addition to the code necessary to implement the new idea. The only way to reduce the development time is to reuse reliable code, preferably using object-oriented approaches. We have designed and implemented BALL, the first object-oriented application framework for rapid prototyping in Molecular Modeling. By the use of the composite design pattern and polymorphism we were able to model the multitude of complex biochemical concepts in a well-structured and comprehensible class hierarchy, the BALL kernel classes. The isomorphism between the biochemical structures and the kernel classes leads to an intuitive interface. Since BALL was designed for rapid software prototyping, ease of use, extensibility, and robustness were our principal design goals. Besides the kernel classes, BALL provides fundamental components for import/export of data in various file formats, Molecular Mechanics simulations, three-dimensional visualization, and more complex ones like a numerical solver for the Poisson-Boltzmann equation.|
|Age Range||18 to 22 years ♦ above 22 year|
|Education Level||UG and PG|
|Learning Resource Type||Article|
|Publisher Place||New York|
|Journal||Journal of Experimental Algorithmics (JEA)|
Ministry of Human Resource Development (MHRD) under its National Mission on Education through Information and Communication Technology (NMEICT) has initiated the National Digital Library of India (NDLI) project to develop a framework of virtual repository of learning resources with a single-window search facility. Filtered and federated searching is employed to facilitate focused searching so that learners can find out the right resource with least effort and in minimum time. NDLI is designed to hold content of any language and provides interface support for leading vernacular languages, (currently Hindi, Bengali and several other languages are available). It is designed to provide support for all academic levels including researchers and life-long learners, all disciplines, all popular forms of access devices and differently-abled learners. It is being developed to help students to prepare for entrance and competitive examinations, to enable people to learn and prepare from best practices from all over the world and to facilitate researchers to perform inter-linked exploration from multiple sources. It is being developed at Indian Institute of Technology Kharagpur.
NDLI is a conglomeration of freely available or institutionally contributed or donated or publisher managed contents. Almost all these contents are hosted and accessed from respective sources. The responsibility for authenticity, relevance, completeness, accuracy, reliability and suitability of these contents rests with the respective organization and NDLI has no responsibility or liability for these. Every effort is made to keep the NDLI portal up and running smoothly unless there are some unavoidable technical issues.
Ministry of Human Resource Development (MHRD), through its National Mission on Education through Information and Communication Technology (NMEICT), has sponsored and funded the National Digital Library of India (NDLI) project.
For any issue or feedback, please write to firstname.lastname@example.org