Name Mode Size
R 040000
inst 040000
man 040000
DESCRIPTION 100644 1 kb
NAMESPACE 100644 0 kb
README 100644 1 kb
README
changelog version 1.1.2 - allow missing $$$$ at the last line of SDF - made max uploaded compounds a configurable option - document change version 1.1.1 - updated Vignette - sdf.visualize now accepts dataframe for argument 'extra' - sdf.visualize now accepts names for reference.note - cluster.sizestat now handles clustering result with multiple cutoffs version 1.1.0 - enhanced cluster.visualize - add db.subset version 1.0.9 - check cmp.similarity arguments - improved compound visualization: now allow a reference compound - now search has built-in visualization version 1.0.8 - sdf.visualize reads CIDs and allows extra description on compounds - in cmp.cluster, is.similarity is now the default - db.explain now returns value rather than printing it - cluster.visualize now outputs to EPS and PDF version 1.0.7 - document changes - add `quite' options to many functions - more robust parsing - better handling of progress messages version 1.0.6 - add sdf.visualize version 1.0.5 - use readLines instead of scan in parsing MOL table version 1.0.4 - fix unclosed I/O connections version 1.0.3 - add cmp.duplicated - rename 'cluster' to 'cmp.cluster' - column names of clustering result now contain no space version 1.0.2 - cluster now accepts ... arguments for cmp.similarity version 1.0.1 - add sdf.subset - add db.explain - add cluster.sizestat - add cluster.visualize