CONFORMA: A program for determining ring conformations and puckering coordinates

被引：26

作者：

Iulek, J

ZukermanSchpector, J

机构：

[1] UNIV ESTADUAL PONTA GROSSA,DEPT QUIM,BR-84031510 PONTA GROSSA,PARANA,BRAZIL

[2] USP,INST QUIM SAO CARLOS,SAO CARLOS,SP,BRAZIL

[3] UNIV FED SAO CARLOS,DEPT QUIM,BR-13565905 SAO CARLOS,SP,BRAZIL

来源：

QUIMICA NOVA | 1997年 / 20卷 / 04期

关键词：

ring conformation; puckering coordinates;

D O I：

10.1590/S0100-40421997000400015

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A program (CONFORMA) was developed to calculate ring puckering coordinates using Cremer and Pople's (J. Am. Chem. Soc. 1975, 97, 1354) methodology, which quantifies the conformation of five or more atom rings. The program performs, also, a conformational analysis based on these results.

引用

页码：433 / 434

页数：2

共 8 条

[1] CONFORMATIONAL-ANALYSIS OF SUGAR RING IN NUCLEOSIDES AND NUCLEOTIDES - NEW DESCRIPTION USING CONCEPT OF PSEUDOROTATION [J].