INTRODUCTION

 

What is GOLPE?

GOLPE is a collection of computer applications devoted to building, validating and interpreting 3D-QSAR models. GOLPE can be used for:

All the programs can be accessed through a common front-end. From the Users point of view, GOLPE is a single application.

GOLPE follows an "instructive approach" in order to provide the User with all the information necessary for a full control and understanding of the data and the models. As opposite to the classical "black-box approach" the program does not hide any information to the User: on the contrary it is possible to display all the available information in a variety of lists, 2D plots, 3D plots and Grid plots.

GOLPE is specifically designed for 3D-QSAR problems, however it can be also applied as a powerful chemometric tool in some other areas, as classical QSAR, QSPR, 3D-design, SBDD and calibration. It is especially well suited for problems involving a large number of variables and/or objects or when the selection of variables is important for the analysis and interpretation.

 

 

What GOLPE is not?

GOLPE is not a general-purpose molecular modeling package. It does not provide any method to build molecules. Neither does it provide quantum mechanics or molecular mechanics, so it depends on external programs to generate the Molecular Interaction Fields (MIF) used in the analysis. GOLPE 4.5 was designed to import MIF data from SYBYL, SPARTAN and GRID programs. In addition, GOLPE 4.5 can import results of a ligand-receptor interaction analysis made with AMBER in order to perform COMBINE analysis.

 

 

What is new in GOLPE 4.5?

new graphics

new tools

new GUI

 

 

Program citation.

The following citation is suggested when referencing the program:

GOLPE 4.5. Multivariate Infometric Analysis Srl., Viale dei Castagni 16, Perugia, Italy (1999).

 

 

Software and hardware requirements.

General

GOLPE 4.5 runs on SGI workstations equipped with MIPS R4000 or higher, and version 6.2 or higher of the IRIX operative system.

In order to see on-line help, Netscape HTML browser should be installed and accessible using started the command netscape. For best visualization please use version 3.0 or higher.

GOLPE can be installed in a central server and run in remote mode, but for optimum performance, a local installation in strongly recommended. Remember that the GOLPE license allows to install the program in as many computers as you wish, within the same site.

Disk space

A full installation of all the programs plus this manual requires less than 6 Mb of disk space.

RAM

For small and medium size problems 64Mb of RAM can be enough. For handling more complex matrices we strongly recommend the use of 128 Mb or more.

 

 

Limitations.

The present version can handle up to 500.000 variables and 100.000 objects. However the hardware, and in particular the amount of RAM memory available might impose a lower limit.

 

 

User's support.

If you have any problem with the installation or use of GOLPE, we would be pleased to help you. In our experience, most problems were solved within 24 hours. Please address all correspondence to support@miasrl.com or mia@miasrl.com.

We greatly appreciate any comments or suggestions.