fmcstest: SD file stored in 'SDFset' object

Description Usage Format Details Source References Examples

Description

Sample compound structures stored in SDF format.

Usage

1

Format

Object of class SDFset

Details

Object stores X molecules from a sample SD file.

Source

ftp://ftp.ncbi.nih.gov/pubchem/

References

SDF format definition: http://www.symyx.com/downloads/public/ctfile/ctfile.jsp

Examples

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data(fmcstest)
sdfset <- fmcstest
view(sdfset)

girke-lab/fmcsR documentation built on May 17, 2019, 5:27 a.m.