3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

ABSTRACT:

Background

The increasing number of organic and inorganic structures promotes the development of the "Big Data" in chemistry and material science, and raises the need for cross-platform and web-based methods to search, view and edit structures. Many web-based three-dimensional (3D) structure tools have been developed for displaying existing models, building new models, and preparing initial input files for external calculations. But few of these tools can deal with crystal structures.

Results

We developed a user-friendly and versatile program based on standard web techniques, such as Hyper Text Markup Language 5 (HTML5), Cascade Style Sheet (CSS) and JavaScript. Both non-periodic organic molecule and crystal structure can be visualized, built and edited interactively. The at

SUBMITTER: Chen P 

PROVIDER: S-EPMC6979392 | biostudies-literature | 2020 Jan

REPOSITORIES: biostudies-literature