Data

Tools

Indexes

Applications

Experiments

Open Source Science

chemdraw-converter

Converts CDX and CDXML from and to CML

https://github.com/blueobelisk/chemdraw-converter

Science Score: 44.0%

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
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (7.4%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

Converts CDX and CDXML from and to CML

Basic Info
  • Host: GitHub
  • Owner: BlueObelisk
  • License: apache-2.0
  • Language: Java
  • Default Branch: main
  • Homepage:
  • Size: 604 KB
Statistics
  • Stars: 11
  • Watchers: 3
  • Forks: 2
  • Open Issues: 2
  • Releases: 0
Created about 6 years ago · Last pushed about 2 years ago
Metadata Files
Readme License Citation

README.md

Chemdraw-Converter

Maven Central Build Status codecov

This distribution contains a library to read (and partially write) Chemdraw (CDX) files into/from CMLDOM. It is based on the web-published definition of CDX files on the cambridgesoft.com site and honours many of the components of a CDX file. It does not support Chemdraw-specific elements such as display types, fonts, etc.

The code is made available under the Apache License, Version 2.0, https://www.apache.org/licenses/LICENSE-2.0.

Peter Murray-Rust, www.xml-cml.org, 2020

The current distribution is a library, not an application and will require a CMLDOM for integration into a system. See http://www.xml-cml.org and http://www-pmr.ch.cam.ac.uk/ and https://github.com/BlueObelisk

Owner

  • Name: Blue Obelisk
  • Login: BlueObelisk
  • Kind: organization

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
title: Chemdraw-Converter
url: "https://github.com/BlueObelisk/chemdraw-converter"
version: 0.5
date-released: 2024-02-17
preferred-citation:
  type: article
  authors:
    - family-names: Murray-Rust
      given-names: Peter
    - family-names: Rzepa
      given-names: Henry S.
  title: "CML: Evolution and design"
  year: 2011
  month: 10
  day: 14
  journal: Journal of Cheminformatics
  volume: 3
  issue: 44
  doi: 10.1186/1758-2946-3-44
  url: https://doi.org/10.1186/1758-2946-3-44

GitHub Events

Total
  • Watch event: 1
  • Fork event: 1
Last Year
  • Watch event: 1
  • Fork event: 1

Dependencies

pom.xml maven
  • log4j:log4j 1.2.13
  • org.xml-cml:jumbo 6.1-SNAPSHOT
  • junit:junit 4.8.2 test
  • org.xml-cml:jumbo-testutil 1.1-SNAPSHOT test