Top Qs
Timeline
Chat
Perspective
Molecule editor
Computer program used to create and modify simulated representations of molecular structures From Wikipedia, the free encyclopedia
Remove ads
Remove ads
A notable molecule editor is a computer program for creating and modifying representations of chemical structures.
Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space, via 2D computer graphics or 3D computer graphics, respectively. Two-dimensional output is used as illustrations or to query chemical databases. Three-dimensional output is used to build molecular models, usually as part of molecular modelling software packages.
Database molecular editors such as Leatherface,[1] RECAP,[2] and Molecule Slicer[3] allow large numbers of molecules to be modified automatically according to rules such as 'deprotonate carboxylic acids' or 'break exocyclic bonds' that can be specified by a user.
Molecule editors typically support reading and writing at least one file format or line notation. Examples of each include Molfile and simplified molecular input line entry specification (SMILES), respectively.
Files generated by molecule editors can be displayed by molecular graphics tools.
Remove ads
Standalone programs
2D structure editing
3D structure editing
Remove ads
Java Applets
JavaScript embeddable editors
See also
Notes and references
External links
Wikiwand - on
Seamless Wikipedia browsing. On steroids.
Remove ads