VEGA: a versatile program to convert, handle and visualize molecular structure on Windows-based PCs

被引：423

作者：

Pedretti, A ^{[1
]}

Villa, L ^{[1
]}

Vistoli, G ^{[1
]}

机构：

[1] Univ Milan, Ist Chim Farmaceut & Tossicol, I-20131 Milan, Italy

来源：

JOURNAL OF MOLECULAR GRAPHICS & MODELLING | 2002年 / 21卷 / 01期

关键词：

molecular graphics; molecular modelling; molecular surfaces; trajectory analysis; data interchange;

D O I：

10.1016/S1093-3263(02)00123-7

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

We here propose the program VEGA, that was developed to create a bridge between the most popular molecular software packages. In this tool some features are implemented some features to analyze, display and manage the three dimensional (313) structure of the molecules. The most important features are (1) file format conversion (with assignment of the atom types and atomic charges), (2) surface calculation and (3) trajectory analysis. The executable and the source code can be free downloaded from http://users.unimi.it/similar toddl. (C) 2002 Elsevier Science Inc. All rights reserved.

引用

页码：47 / 49

页数：3

共 7 条

[1] MOLECULAR LIPOPHILICITY POTENTIAL, A TOOL IN 3D QSAR - METHOD AND APPLICATIONS [J].