| 分子构型和构象研究中的坐标逆变换技术 |
| |
| 引用本文： | 李丙瑞. 分子构型和构象研究中的坐标逆变换技术[J]. 兰州大学学报(自然科学版), 1993, 29(2): 93-98 |
| |
| 作者姓名： | 李丙瑞 |
| |
| 作者单位： | 兰州大学化学系 兰州730000 |
| |
| 摘 要： |
|
| 关 键 词： | 构型 构象 分子 坐标逆变换 |
Coordinates Retransformation Technique for Studying the Molecular Configuration and Conformation |
| |
| Li Bingrui. Coordinates Retransformation Technique for Studying the Molecular Configuration and Conformation[J]. Journal of Lanzhou University(Natural Science), 1993, 29(2): 93-98 |
| |
| Authors: | Li Bingrui |
| |
| Abstract: | A computer program of retransforming atomic Cartesian coordinatesin molecule to internal coordinates is provided.It can calculate all theinternal coordinates among bonding or nonbonding atoms in molecule,including signs of dihedral angles,so it is useful for the molecular con-figuration and conformation research,especially biomolecules and drugs.The reliability of the program has been checked by both retransformafionand transformation of fluorescein derivative. |
| |
| Keywords: | coordinate transformations configuration conformation molecular internal coordinate |
| 本文献已被 CNKI 维普 等数据库收录！ |
