Pregled bibliografske jedinice broj: 817516
The Luscus code
The Luscus code // MOLCAS Developers' workshop 2014 (March 24th-26th)
Alcalá de Henares, Španjolska, 2014. (predavanje, nije recenziran, neobjavljeni rad, znanstveni)
CROSBI ID: 817516 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
The Luscus code
Autori
Kovačević, Goran
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni
Skup
MOLCAS Developers' workshop 2014 (March 24th-26th)
Mjesto i datum
Alcalá de Henares, Španjolska, 24.03.2014. - 26.03.2014
Vrsta sudjelovanja
Predavanje
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
