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Luscus: molecular viewer and editor for MOLCAS.

Kovačević, Goran and Veryazov, Valera LU (2015) In Journal of Cheminformatics 7. p.16-16
Abstract
The novel program for graphical display and editing of molecular systems, luscus, is described. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus is able to visualise dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to reveal a geometrical feature or a physical quantity. The program is developed as a graphical interface for the MOLCAS program package, however its adaptive nature makes possible to use luscus with other computational program packages and chemical formats. All data files are opened via simple plug-ins which makes easy to... (More)
The novel program for graphical display and editing of molecular systems, luscus, is described. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus is able to visualise dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to reveal a geometrical feature or a physical quantity. The program is developed as a graphical interface for the MOLCAS program package, however its adaptive nature makes possible to use luscus with other computational program packages and chemical formats. All data files are opened via simple plug-ins which makes easy to implement a new file format in luscus. The easiness of editing molecular geometries makes luscus suitable for teaching students chemical concepts and molecular modelling. Graphical AbstractScreenshot of luscus program showing molecular orbital. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Software, Molecular modelling, Graphics, Molecular editor, Visualisation
in
Journal of Cheminformatics
volume
7
pages
16 - 16
publisher
ChemistryCentral
external identifiers
  • pmid:25984240
  • wos:000354430500001
  • scopus:84929333011
ISSN
1758-2946
DOI
10.1186/s13321-015-0060-z
language
English
LU publication?
yes
id
aa9a0971-5908-444d-9697-2457fda3aed0 (old id 5449064)
date added to LUP
2015-06-23 17:38:56
date last changed
2017-11-12 03:48:29
@article{aa9a0971-5908-444d-9697-2457fda3aed0,
  abstract     = {The novel program for graphical display and editing of molecular systems, luscus, is described. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus is able to visualise dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to reveal a geometrical feature or a physical quantity. The program is developed as a graphical interface for the MOLCAS program package, however its adaptive nature makes possible to use luscus with other computational program packages and chemical formats. All data files are opened via simple plug-ins which makes easy to implement a new file format in luscus. The easiness of editing molecular geometries makes luscus suitable for teaching students chemical concepts and molecular modelling. Graphical AbstractScreenshot of luscus program showing molecular orbital.},
  author       = {Kovačević, Goran and Veryazov, Valera},
  issn         = {1758-2946},
  keyword      = {Software,Molecular modelling,Graphics,Molecular editor,Visualisation},
  language     = {eng},
  pages        = {16--16},
  publisher    = {ChemistryCentral},
  series       = {Journal of Cheminformatics},
  title        = {Luscus: molecular viewer and editor for MOLCAS.},
  url          = {http://dx.doi.org/10.1186/s13321-015-0060-z},
  volume       = {7},
  year         = {2015},
}