changelog version 2.6.1 - SDFset() constructor version 2.5.8 - corrected sim.R file version 2.5.7 - updated 'atomsubset' function version 2.5.6 - added 'atomsubset' function for returning substructure from SDF/SDFset version 2.5.5 - Documentation updates version 2.5.4 - added 'rings' function for ring perception and aromaticity assignment - added 'groups' function for counting functional groups version 2.5.3 - fixes for plotStruc/plot to show charges, disconnected atoms and missing hydrogens of non-C atoms version 2.5.1 - 2.5.2 - Utilities for adding missing hydrogens: includes new 'bonds' function that is used by functions 'atomcount', 'MW', 'MF', 'atomcountMA' version 2.2.16 - 2.2.18 - Added conMA function to create connection matrices - Documentation updates version 2.2.15 - documentation updates - renamed searchSub() to searchSim() - wrapped web service code in man files with \dontrun{} version 2.2.14 - introduced support for ChemMine Web Tools including PubChem searches version 2.2.12 - 2.2.13 - help file updates - fix for SDF import to support Drug Bank data version 2.2.0 - 2.2.11 - added support for PubChem fingerprints version 2.1.5 - added validSDF function version 2.1.4 - minor bug fixes version 2.1.3 - minor bug fixes version 2.1.2 - minor bug fixes version 2.1.1 - introduced S4 classes for all object types - added full support for processing SD files - added compound depictions with R's graphics device version 1.2.4 - bug fix for 1.2.3 version 1.2.3 - enhance cluster visualization version 1.2.2 - minor bugfixes version 1.2.1 - use ChemmineR Performance Pack (ChemmineRpp) when available 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