Molecular graphics

The CCP4 molecular-graphics project.

This new package will provide easy-to-use access to crystallographic structure solution, model building and structure analysis. It will be possible for any developer to integrate scientific software into the system.

Eleventh Annual Report Interactive Graphics for Molecular Graphics System

Molecular Graphics - Structural and Molecular Graphics Descriptors in a QSAR Study of 17 - α - Acetoxyprogesterones

Neste trabalho, foi feito um estudo de relações quantitativas entre a estrutura e a atividade biológica de 21 derivados de progesteronas ministrados via oral, dentre os quais 19 são 17-αacetoxiprogesteronas. O método de quadrados mínimos parciais foi usado para construir modelos de regressão de boa qualidade, com Q = 0,707 e R = 0,811 utilizando duas componentes principais e quatro descritores....

Molecular Graphics of Convex Body Fluids.

Coarse-grained modeling of molecular fluids is often based on nonspherical convex rigid bodies like ellipsoids or spherocylinders representing rodlike or platelike molecules or groups of atoms, with site-site interaction potentials depending both on the distance among the particles and the relative orientation. In this category of potentials, the Gay-Berne family has been studied most extensive...

Coot: model-building tools for molecular graphics.

CCP4mg is a project that aims to provide a general-purpose tool for structural biologists, providing tools for X-ray structure solution, structure comparison and analysis, and publication-quality graphics. The map-fitting tools are available as a stand-alone package, distributed as 'Coot'.