MOLFIT - A COMPUTER-PROGRAM FOR MOLECULAR SUPERPOSITION

被引：7

作者：

REDINGTON, PK

机构：

[1] Scientific Modeling Associates, Salt Lake City, UT 84107

来源：

COMPUTERS & CHEMISTRY | 1992年 / 16卷 / 03期

关键词：

D O I：

10.1016/0097-8485(92)80005-K

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

MOLFIT is a program that performs the task of molecular superposition, using a combination of two algorithms. The first is a direct solution and is developed here. The second is a refinement of the algorithm of (Sippl & Stegbuchner (1991) Computers Chem. 15, 73 (SS). This combination provides a robust and efficient algorithm, obtaining accurate solutions for cases where the individual methods failed.

引用

页码：217 / 222

页数：6

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