Files in rcdk
Interface to the 'CDK' Libraries

NEWS
NAMESPACE
CHANGELOG
MD5
DESCRIPTION
build/vignette.rds
tests/doRUnit.R
data/bpdata.RData
java/README
inst/CITATION
inst/unitTests/runit.match.R inst/unitTests/runit.depiction.R inst/unitTests/runit.atoms.R inst/unitTests/runit.rcdk.R
inst/unitTests/Makefile
inst/unitTests/runit.smiles.R inst/unitTests/runit.frags.R inst/unitTests/runit.props.R inst/unitTests/runit.visual.R
inst/cont/rcdk.jar
inst/cont/com.objectplanet.image.PngEncoder.jar
inst/doc/rcdk.Rnw
inst/doc/rcdk.pdf inst/doc/rcdk.R man/getformula.Rd man/get.connection.matrix.Rd man/match.Rd man/compare.isotope.pattern.Rd man/getatomdescnames.Rd man/ops.Rd man/getdescnames.Rd man/getprops.Rd man/getfp.Rd man/gethcount.Rd man/cdkversion.Rd man/removehydrogens.Rd man/bpdata.Rd man/loadmol.Rd man/getbonds.Rd man/get.isotope.pattern.generator.Rd man/props.Rd man/generateformula.Rd man/getsmiles.Rd man/parsesmiles.Rd man/atomcontainer.Rd man/setchargeformula.Rd man/viewmol2d.Rd man/evalatomicdesc.Rd man/getproperty.Rd man/get.adjacency.matrix.Rd man/get.isotope.pattern.similarity.Rd man/evaldesc.Rd man/gettotalcharge.Rd man/getlargestcomp.Rd man/setproperty.Rd man/getisotopepattern.Rd man/get2dcoords.Rd man/getdesccat.Rd man/viewtable.Rd man/atoms.Rd man/smiles.flavors.Rd man/removeproperty.Rd man/getsmilesparser.Rd man/getmol2formula.Rd man/frags.Rd man/isvalidformula.Rd man/getatoms.Rd man/getconatom.Rd man/cdkFormula-class.Rd man/writemols.Rd man/hasNext.Rd R/desc.R R/fingerprint.R R/smsd.R R/iterating.R R/bonds.R R/atoms.R R/rcdk.R R/smiles.R R/formula.R R/frags.R R/matching.R R/visual.R R/io.R R/matrix.R R/props.R
vignettes/rcdk.Rnw
rcdk documentation built on Nov. 17, 2017, 6:17 a.m.