Journal
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
Volume 30, Issue 8, Pages 619-624Publisher
SPRINGER
DOI: 10.1007/s10822-016-9944-x
Keywords
Glycans; Structural bioinformatics; Modelling
Categories
Funding
- A Warren L. DeLano Memorial PyMOL Open-Source Fellowship
- CONICET-Argentina [PIP-0030]
- ANPCyT-Argentina [PICT-2014-0556]
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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.
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