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NMR DATA PROCESSING AND MOLECULAR MODELING WORKSTATION

NMR DATA PROCESSING AND MOLECULAR MODELING WORKSTATION
NMR 数据处理和分子建模工作站
批准号:
3507804
负责人:
DENNIS R HARE
金额:
$40.17万
依托单位国家:
美国
项目类别:
财政年份:
1985
资助国家:
美国
项目状态:
已结题
起止时间:
1985-06-15 至 1988-06-30

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中文摘要
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英文摘要
The advent of new techniques and modern equipment for nuclear magnetic resonance research makes NMR the method of choice for studying the structure and dynamics of biological molecules in solution. Modern NMR experiments yield a staggering amount of structural information, which makes it an attractive technique but also leads to problems in processing the experimental data. Since modern NMR spectrometers are very expensive (ca $0.6 million), whereas processing and manipulation of the data requires only a relatively inexpensive computer, we have developed preliminary software for an NMR processing and molecular modeling workstation that can perform data processing, analysis and plotting, leaving the NMR spectrometer free to acquire more data. The preliminary software is written for the DEC VAX, which is widely in use in research facilities. In addition to NMR processing software, we have partially written a prototype distance geometry program that allows users to calculate molecular structures, and display graphic output of these structures, from distance and angle information present in the NMR data. During Phase II we propose to complete this software and apply it to experimental data obtained through research collaborations. During this interactive stage of development the software will be modified to better suit the needs of the experimental spectroscopist. Phase II also involves scaling up the software to make use of array processor and real-time graphics display hardware to enable the study of larger and more interesting biomolecules.
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NMR DATA PROCESSING AND MOLECULAR MODELING WORKSTATION
  • 批准号:
    2177968
  • 项目类别:
  • 资助金额:
    $9.83万
  • 财政年份:
    1985
  • 负责人:
    DENNIS R HARE
  • 依托单位:
NMR DATA PROCESSING AND MOLECULAR MODELING WORKSTATION
  • 批准号:
    3497604
  • 项目类别:
  • 资助金额:
    $5.0万
  • 财政年份:
    1985
  • 负责人:
    DENNIS R HARE
  • 依托单位:
海外基金