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QuteMol specifications

Information


Unique identifier OMICS_05075
Name QuteMol
Software type Package/Module
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Windows
License GNU General Public License version 2.0
Computer skills Advanced
Stability Stable
Maintained Yes

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Publication for QuteMol

QuteMol citations

 (10)
library_books

The Dependency of Nematic and Twist bend Mesophase Formation on Bend Angle

2016
Sci Rep
PMCID: 5098182
PMID: 27819300
DOI: 10.1038/srep36682

[…] calculations were performed in Gaussian G09 revision E.01 on the York Advanced Research Computing Cluster (YARCC) as described in the text, with molecular structures rendered from output files using QuteMol. Calculations were performed using the B3LYP functional and the 6-31G(d) basis set on isolated molecules at a temperature of 298 K. Small angle X-ray scattering was performed on a Bruker D8 Di […]

library_books

Dependence of Mesomorphic Behaviour of Methylene‐Linked Dimers and the Stability of the NTB/NX Phase upon Choice of Mesogenic Units and Terminal Chain Length

2016
PMCID: 5132152
PMID: 27244550
DOI: 10.1002/chem.201601146

[…] prepared as described previously., Reagents and solvents were obtained from commercial suppliers. Computational chemistry was performed in Gaussian G09 Revision D.01 with output files rendered using QuteMol. Full experimental details, including synthetic procedures and chemical characterisation, are provided in the accompanying Supporting Information. […]

library_books

Available Instruments for Analyzing Molecular Dynamics Trajectories

2016
PMCID: 4797681
PMID: 27053964
DOI: 10.2174/1874091X01610010001

[…] This is a program with an open source code for interactive visualization of molecular systems []. QuteMol makes use of the available possibilities of current computer graphics including the OpenGL library. The program has a wide number of graphical effects. Visualization methods of QuteMol are aim […]

library_books

Blood–brain barrier transport studies, aggregation, and molecular dynamics simulation of multiwalled carbon nanotube functionalized with fluorescein isothiocyanate

2015
PMCID: 4356663
PMID: 25784800
DOI: 10.2147/IJN.S68429

[…] St Louis, MO, USA). All nanotube rendering scenes and graphic representations were prepared with ambient occlusion lighting by the Tachyon ray tracer (Theoretical and Computational Biophysics Group), QuteMol v.0.4.1, MATLAB R2012a (MathWorks, Natick, MA, USA), and GraphPad Prism v.4 for Windows software (GraphPad Software, Inc., San Diego, CA, USA). […]

library_books

Conserved and host specific features of influenza virion architecture

2014
Nat Commun
PMCID: 4167602
PMID: 25226414
DOI: 10.1038/ncomms5816

[…] f markers (3442) and the number of proteins annotated by EBI on 12/06/2014 in the genomes of humans, cows and chickens (20649, 19634 and 15621, respectively). Protein structures were visualised using QuteMol and Python Molecular Viewer and composited using Inkscape (www.inkscape.org). Membrane co-ordinates were from Tieleman et al.(1996), the RNP structure was adapted from Hutchinson et al. (2013) […]

library_books

The Structure of RdDddP from Roseobacter denitrificans Reveals That DMSP Lyases in the DddP Family Are Metalloenzymes

2014
PLoS One
PMCID: 4108388
PMID: 25054772
DOI: 10.1371/journal.pone.0103128

[…] and refined against the native data with REFMAC5 . Unless otherwise stated all crystallographic programs were used as part of the CCP4 project . Figures were prepared with Pymol (www.pymol.org) and QuteMol . The crystal structure was verified with Molprobity . […]

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