Artículo
Azahar: a PyMOL plugin for construction, visualization and analysis of glycan molecules
Fecha de publicación:
08/2016
Editorial:
Springer
Revista:
Journal Of Computer-aided Molecular Design
ISSN:
0920-654X
e-ISSN:
1573-4951
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Glycans are key molecules in many physiological and pathological processes. As with other molecules, like proteins, visualization of the 3D structures of glycans adds valuable information for understanding their biological function. Hence, here we introduce Azahar, a computing environment for the creation, visualization and analysis of glycan molecules. Azahar is implemented in Python and works as a plugin for the well known PyMOL package (Schrodinger in The PyMOL molecular graphics system, version 1.3r1, 2010). Besides the already available visualization and analysis options provided by PyMOL, Azahar includes 3 cartoon-like representations and tools for 3D structure caracterization such as a comformational search using a Monte Carlo with minimization routine and also tools to analyse single glycans or trajectories/ensembles including the calculation of radius of gyration, Ramachandran plots and hydrogen bonds. Azahar is freely available to download from http://www.pymolwiki.org/index.php/Azahar and the source code is available at https://github.com/agustinaarroyuelo/Azahar.
Palabras clave:
Glycans
,
Modelling
,
Structural Bioinformatics
Archivos asociados
Licencia
Identificadores
Colecciones
Articulos(IMASL)
Articulos de INST. DE MATEMATICA APLICADA DE SAN LUIS
Articulos de INST. DE MATEMATICA APLICADA DE SAN LUIS
Citación
Arroyuelo, Agustina; Vila, Jorge Alberto; Martín, Osvaldo Antonio; Azahar: a PyMOL plugin for construction, visualization and analysis of glycan molecules; Springer; Journal Of Computer-aided Molecular Design; 30; 8; 8-2016; 619-624
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