Changes in version 14.32.82:

• bug fix: ModelKit menu may not work on second click of an item
• bug fix: V3000 MOL reading deleting H atoms inappropriately
• bug fix: V3000 MOL should disregard any nonbonded Xx atom (as from a label)
• bug fix: SMILES from model that has been converted from 2D may not show stereochemistry
• bug fix: JNI-InChI not set up for 2D stereochemistry (wedge/hash).
• bug fix: ChemDraw CDXML reader should allow for atom with invalid valence
• bug fix: Java application File...New should not pass status listener on as userStatusListener
• new feature: In ModelKitMode, hovering over an atom and pressing keys can change element
  • for single-character symbols, just press the letter --- c o n etc.
  • for two-character symbols, hold down the shift key for BOTH letters --- NI OS LI etc
  • invalid element names are ignored silently
  • only for non-touchscreen context
• new feature: print {1.1}.find("SMILES","MF")
  • determines the molecular formula based on a SMILES string from the atomset
• new feature: print {1.1}.find("SMILES","MF", true)
  • determines the empirical formula based on a SMILES string from the atomset
• new feature: print "CCCC".find("SMILES","MF")
  • determines molecular formula of a SMILES string
• new feature: print "CCCC".find("SMILES","MF", true)
  • determines the empirical formula of a SMILES string
• new feature: LOAD xxxx.mol FILTER "noHydrogen" (Or just "NOH")
  • loads the model in 2D with no additional hydrogens and no minimization
  • allows for SMILES and InChI creation directly from the 2D model
• new feature: LOAD xxxx.mol FILTER "no3D"
  • loads the model in 2D with no conversion to 3D, particularly for V3000 and ChemDraw
  • no effect for standard 3D models

Changes in version 14.32.83:

• new feature: ChemDraw CDXReader
  • reads CDX files to 2D or 3D
  • only minimal amount of information necessary for loading
  • FILTER "NOH" (or FILTER "NO3D") can be used to not minimize or add hydrogens
  • cleans files of unattached "phantom" atoms
  • recognizes partial bonds and multiple-attachment bonds (e.g. ferrocene) converting these to partial bonds
  • can be used to generate SMILES, InChI, InChIKey, 2D-MOL files
  • recognizes "either stereochemistry" wavy bond -- translates to InChI ?
• new feature: allowing @1.symop(@2,...) rather than @1.symop(@1, @2,...)
• bug fix: CDXML reader for multiple attachments, other upgrades
• bug fix: CDXML reader connectivity for attachments within strings of characters
• bug fix: axes do not retain font changes after rotation if both xyz and abc are present
• bug fix: addition of H atoms to crystal structures when unit cell is showing should not add H if it is out of unit cell periodic boundaries and no other atom is already out of those boundaries.
• bug fix: ModelKit not processing MODELKIT ADD @1 "N" {0 1/4 1/4} properly
• bug fix: ModelKit not giving correct hover label after dragging to bond for crystal structure
• bug fix: deleting atoms with measurements can cause rendering to fail