摘要
度量矩阵距离几何法是一种计算分子三维结构的算法，初步探讨了它的理论及其实际的应用，在SGI工作站SYBYL平台上改进了原有程序，并以BUSHIIA为实例与DIANA方法和SYBYL原程序做了比较和讨论．此外，还提出一个有关三角约束的推测．
Metric Matrix Distance Geometry is an algorithm used in the three dimensional structure calcu-lation of macromolecule. In this paper, its theory and application was discussed, the original SYBYLprocedures were modified using SPL language. Comparison was made for the results of our experi-ment with DIANA and DISGEO. Besides, a proposal about the triangular constraint rule was proposed.
出处
《波谱学杂志》
CAS
CSCD
北大核心
1997年第1期37-43,共7页
Chinese Journal of Magnetic Resonance
基金
国家自然科学基金
关键词
距离几何法
三角约束
多肽溶液
Distance geometry, Triangular constraint, DIANA, MAXIMIN2, DISGEO
