Naslov
Luscus: the atomistic view to the molecular and the material science

Autori
Kovačević, Goran ; Veryazov, Valera

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, ostalo

Skup
ESSENCE Academy 2013 in Lund

Mjesto i datum
Lund, Švedska, 16.10.2013. - 17.10.2013

Vrsta sudjelovanja
Poster

Vrsta recenzije
Nije recenziran

Ključne riječi
Molecular modelling; Software; Graphics; Molecular editor; Visualisation

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA