isabella232 / rcsb-molstar

RCSB PDB apps and props based on Mol*

RCSB PDB implementation of Mol* (/'mol-star/). Try it here.

PDBe also maintains a flavor of Mol* called PDBe Molstar. Documentation of the parent Mol* project can be found here. See index.html for examples.

When using Mol*, please cite:

David Sehnal, Sebastian Bittrich, Mandar Deshpande, Radka Svobodová, Karel Berka, Václav Bazgier, Sameer Velankar, Stephen K Burley, Jaroslav Koča, Alexander S Rose: Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures, Nucleic Acids Research, 2021; https://doi.org/10.1093/nar/gkab314.

Functionality

Provides custom features used in the Mol* viewer on rcsb.org:

• visualization of structure alignments
• visualization of structure motifs & UI to launch structure motif queries
• interactivity functionality to highlight and add representations for selections of a structure, used in the 3D Protein Feature View
• bookmarkable focus representation on ligands or chains

Install

npm install @rcsb/rcsb-molstar

Building & Running

Build:

npm install
npm run build

Build automatically on file save:

npm run watch

Build with debug mode enabled:

DEBUG=molstar npm run watch

Build for production:

npm run build

Run

If not installed previously:

npm install -g http-server

...or a similar solution.

From the root of the project:

http-server -p PORT-NUMBER

and navigate to build/dist/viewer/

Prerelease

npm version prerelease # assumes the current version ends with '-dev.X'
npm publish --tag next

Release

npm version 1.X.0 # provide valid semver string
npm publish

Funding

Funding sources include but are not limited to:

• RCSB PDB funding by a grant [DBI-1338415; PI: SK Burley] from the NSF, the NIH, and the US DoE
• PDBe, EMBL-EBI
• CEITEC
• EntosAI