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Projeto Descrição

Viewmol is a program for building and editing molecules as well as for the visualization of outputs from quantum chemical and molecular mechanics programs. Currently supported are Gaussian 9x, Gamess, Discover, DMol/DSolid/DMol3, Gulp, Mopac, Turbomole, and PDB files. Properties visualized include geometry (with various drawing modes), vibration (animated or with arrows), optimization history/MD trajectories, MO energy level diagram, MOs, basis functions, and electron density. Drawings can be saved as TIFF, HPGL, Postscript, and input files for Rayshade. Viewmol has an embedded Python interpreter for automation. The program is language independent and currently "speaks" English, French, German, Russian, or Spanish.

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2003-11-12 17:45 Back to release list
2.4

Conchas Abrir em Gamess e saídas Turbomole agora são suportados. Funções de onda periódicas também são suportados. A capacidade de leitura de dados da rede e visualizá-los a ler saídas PQS, ler a matriz Bravais para a definição de unidade de células, para gerar arquivos de entrada para Gauss, ea capacidade de salvar desenhos como arquivos PNG e bitmaps Postscript foram adicionados. Scripts para definir cores átomo através da interface do usuário e executar UFF otimização de geometria usando o módulo Turbomole da UFF foram incluídos. Scripts em Python já pode se instalar em um menu. Mac OS X agora é suportado como plataforma.
Tags: Major feature enhancements
Open shells in Gamess and Turbomole outputs are
now supported. Periodic wave functions are also
supported. The ability to read grid data and
visualize them, to read PQS outputs, to read the
Bravais matrix for defining unit cells, to
generate input files for Gaussian, and the ability
to save drawings as PNG files and Postscript
bitmaps have been added. Scripts to set atom
colors through the user interface and to perform
UFF geometry optimization using Turbomole's UFF
module have been included. Python scripts can now
install themselves in a menu. Mac OS X is now
supported as platform.

Project Resources

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