Package: chents 0.4.2
chents: Chemical Entities as R Objects
When working with data on chemical substances, we often need a reliable link between the data and the chemical identity of the substances. The R package 'chents' provides a way to define an R object corresponding to a chemically defined substances, i.e. a chemical entity and to collect related information. If Python and 'RDKit' (> 2015.03) are installed and configured for use with 'reticulate', some basic chemoinformatics functions like the calculation of molecular weight and plotting of chemical structures in R graphics are available.
Authors:
chents_0.4.2.tar.gz
chents_0.4.2.zip(r-4.7)chents_0.4.2.zip(r-4.6)chents_0.4.2.zip(r-4.5)
chents_0.4.2.tgz(r-4.6-any)chents_0.4.2.tgz(r-4.5-any)
chents_0.4.2.tar.gz(r-4.7-any)chents_0.4.2.tar.gz(r-4.6-any)
chents_0.4.2.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
chents/json (API)
| # Install 'chents' in R: |
| install.packages('chents', repos = c('https://jranke.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/jranke/chents/issues
Pkgdown/docs site:https://pkgdown.jrwb.de
Last updated from:7c84d4ac9d. Checks:8 OK, 1 ERROR. Indexed: yes.
| Target | Result | Time | Files | Syslog |
|---|---|---|---|---|
| linux-devel-x86_64 | OK | 177 | ||
| source / vignettes | OK | 196 | ||
| linux-release-x86_64 | OK | 182 | ||
| macos-release-arm64 | OK | 106 | ||
| macos-oldrel-arm64 | OK | 116 | ||
| windows-devel | OK | 197 | ||
| windows-release | ERROR | 191 | ||
| windows-oldrel | OK | 214 | ||
| wasm-release | OK | 151 |
Exports:chentdraw_svg.chentpaippp
Dependencies:askpassbase64encclicurldata.treedplyrgenericsgluegrImportherehttrjsonlitelatticelifecyclemagrittrMatrixmimeopensslpillarpkgconfigpngpurrrR6rappdirsRcppRcppTOMLreticulaterlangrprojrootrsvgrvestselectrstringistringrsystibbletidyselectutf8vctrswebchemwithrXMLxml2yaml
