cifplayer

Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats

https://github.com/tilde-lab/cifplayer

Science Score: 67.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
    Found CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
    Found 2 DOI reference(s) in README
  • Academic publication links
    Links to: zenodo.org
  • Committers with academic emails
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (13.6%) to scientific vocabulary

Keywords

cif cifs crystal-structure crystallography optimade poscar symmetry threejs
Last synced: 6 months ago · JSON representation ·

Repository

Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats

Basic Info
  • Host: GitHub
  • Owner: tilde-lab
  • License: mit
  • Language: TypeScript
  • Default Branch: master
  • Homepage: http://nanoshow.mpds.io/
  • Size: 8.06 MB
Statistics
  • Stars: 29
  • Watchers: 2
  • Forks: 8
  • Open Issues: 8
  • Releases: 4
Topics
cif cifs crystal-structure crystallography optimade poscar symmetry threejs
Created over 10 years ago · Last pushed 6 months ago
Metadata Files
Readme License Citation

README.md

HTML5 CIF player

DOI FOSSA Status

In-browser ultra-fast and lightweight renderer of the crystallographic information files (CIF), OPTIMADE JSON, and VASP POSCAR atomic structures, written in a pure JavaScript.

In a compiled form it is only one standalone embeddable file web.js of 300 Kb (gzipped). See it online. Only a web-browser is required. After the code is loaded, no internet connection is needed.

Technical details

This app is written in the $mol framework and employs three.js for 3d-rendering and tween.js for phonon animation. Scientific formats conversion is done with matinfio.js.

Compilation is done as follows. Note that, unlike many other frontend frameworks, $mol provides the same single environment for all its projects, under the standard namespace scheme. That is, all your $mol-based code lives inside the same directory $MOL_HOME. So if you don't have $MOL_HOME yet, please create it and navigate there:

bash mkdir $MOL_HOME && cd $MOL_HOME

Then build with

bash npm exec mam optimade/cifplayer/player

This will fetch the MAM server (MAM stands for the $mol abstract modules), clone this project, and compile it inside optimade/cifplayer/player/-/ subfolder. You will need the web.js bundle, that's it.

Development is similar to above: inside the $MOL_HOME, start the MAM dev-server with

bash npm exec mam

and navigate to http://localhost:9080, there select optimade namespace, then cifplayer, then app. As you go through the folder structure, the selected project is being cloned and compiled on the fly, inside the corresponding subfolder of $MOL_HOME.

Integration with the other software

The compiled bundle web.js defines a web-component optimade-cifplayer-player. It can be controlled in a standard way with e.g.

js const player = document.getElementsByTagName('optimade-cifplayer-player')[0].view; player.data(structure);

Or in another $mol application natively, using a tree markup:

<= Your_block_name $optimade_cifplayer_player data <= your_data_string null

Comparison with the other open-source plugin-free engines

See a detailed comparison as well as the blog post, written in 2015. As of now, it is unfortunately severely outdated.

License

FOSSA Status

Owner

  • Name: Tilde
  • Login: tilde-lab
  • Kind: organization
  • Email: support@tilde.pro
  • Location: The Internet

Tilde Materials Informatics Virtual Lab

Citation (CITATION.cff)

cff-version: 1.2.0
title: cifplayer
type: software
license: MIT
authors:
  - given-names: Evgeny
    family-names: Blokhin
    orcid: 'https://orcid.org/0000-0002-5333-3947'
doi: 10.5281/zenodo.7692709
url: 'https://tilde-lab.github.io/cifplayer'
keywords:
  - cif
  - optimade
  - poscar
  - threejs
  - Crystallographic Information File

GitHub Events

Total
  • Issues event: 11
  • Watch event: 6
  • Delete event: 1
  • Issue comment event: 13
  • Push event: 19
  • Pull request review event: 21
  • Pull request review comment event: 15
  • Pull request event: 18
  • Fork event: 2
Last Year
  • Issues event: 11
  • Watch event: 6
  • Delete event: 1
  • Issue comment event: 13
  • Push event: 19
  • Pull request review event: 21
  • Pull request review comment event: 15
  • Pull request event: 18
  • Fork event: 2

Committers

Last synced: 10 months ago

All Time
  • Total Commits: 171
  • Total Committers: 4
  • Avg Commits per committer: 42.75
  • Development Distribution Score (DDS): 0.357
Past Year
  • Commits: 49
  • Committers: 3
  • Avg Commits per committer: 16.333
  • Development Distribution Score (DDS): 0.122
Top Committers
Name Email Commits
Evgeny Blokhin eb@t****o 110
stan.donarise s****e@g****m 59
nin-jin s****i@y****u 1
fossabot b****s@f****o 1
Committer Domains (Top 20 + Academic)

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 35
  • Total pull requests: 49
  • Average time to close issues: about 2 years
  • Average time to close pull requests: 7 days
  • Total issue authors: 3
  • Total pull request authors: 5
  • Average comments per issue: 0.74
  • Average comments per pull request: 0.29
  • Merged pull requests: 40
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 5
  • Pull requests: 18
  • Average time to close issues: about 2 months
  • Average time to close pull requests: 5 days
  • Issue authors: 2
  • Pull request authors: 4
  • Average comments per issue: 0.6
  • Average comments per pull request: 0.33
  • Merged pull requests: 15
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • blokhin (33)
  • PHannapp (1)
  • aglie (1)
Pull Request Authors
  • stan-donarise (36)
  • blokhin (7)
  • luckylionheart (3)
  • nin-jin (2)
  • fossabot (1)
Top Labels
Issue Labels
enhancement (17) todo (11) help wanted (9) bug (6) question (3) documentation (2)
Pull Request Labels