Molcontroller: A VMD Graphical User Interface Featuring Molecule Manipulation.
J Chem Inf Model
; 60(10): 5126-5131, 2020 10 26.
Article
em En
| MEDLINE
| ID: mdl-32931272
ABSTRACT
Visual Molecular Dynamics (VMD) is one of the most widely used molecular graphics software in the community of theoretical simulations. So far, however, it still lacks a graphical user interface (GUI) for molecular manipulations when doing some modeling tasks. For instance, translation or rotation of a selected molecule(s) or part(s) of a molecule currently only can be achieved using tcl scripts. Here, we use the Tcl/Tk toolkit to develop a user-friendly GUI for VMD, named Molcontroller, which is featured by allowing users to quickly and conveniently perform various molecular manipulations. This GUI might be helpful for improving the modeling efficiency of VMD users.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Interface Usuário-Computador
/
Simulação de Dinâmica Molecular
Idioma:
En
Ano de publicação:
2020
Tipo de documento:
Article