iCn3D, a Web-based 3D Viewer for Sharing 1D/2D/3D Representations of Biomolecular Structures

Abstract

SummaryiCn3D (l-see-in-3D) is a web-based 3D molecular structure viewer implemented in JavaScript. It invites users to explore sequence-structure relationships by displaying 3D structures, protein and nucleotide sequences, and biological annotations such as protein domains, Single Nucleotide Variations, functional sites, molecular contacts, as well as user defined features. Customized and user-annotated displays can be shared with colleagues or publishers via a simple URL, or embedded in web pages as live 3D displays. iCn3D is unique in its ability to simultaneously show 3D structure, 2D molecular networks and interactions, and 1D protein and nucleotide sequences through an integrated sequence/annotation browser. Arbitrary molecular features can be selected in any of the 1D/2D/3D windows as sets of molecules or residues, utilizing flexible user interfaces. These selections are synchronized dynamically in all displays. They can, for example, be shown as tracks in the 1D sequence/annotation browser with simultaneous 3D representations. They can be saved and reused throughout a single user session, or exported for subsequent sessions and further external analysis. iCn3D is rich in structural analysis and visualization features and has a built-in user interface that supports both command line- and menu-driven operation. Session commands can be saved, replayed and shared. iCn3D can display superimposed structures obtained from NCBFs VAST+ structural alignment resource, for comparative analysis of tertiary or quaternary structure. iCn3D can also display electron density maps for crystal structures and export files for 3D printing. The following example URL exemplifies some of the 1D/2D/3D representations: https://www.ncbi.nlm.nih.gov/Structure/icn3d/full.html?mmdbid=1TUP&showanno=1&show2d=1&showsets=1.\n\nAvailability and implementationiCn3D is freely available to the public. Its source code is available at https://github.com/ncbi/icn3d.