xdrawchem 2.0-4 / usr / share / xdrawchem2 / doc / HISTORY.txt

version 1.9.4:
(contributed) Fixed buggy pointer references related to bug #1158842.
Added Edit > Insert symbol dialog.
Improvements to BUILD3D code now yield better results for fused rings,
  aromtics, and other double bonds.
Updated Polish language file.

version 1.9.3:
Fixed issue with color selection and color in EPS files.
Aliphatic chains are now consistently drawn correctly.
Undo and load/save correctly handle explicit "C" labels on carbons.
BUILD3D is now accessed as a CGI script, which means it is accessible for
  all platforms with an Internet connection.
(contributed) Updated Polish language file.

version 1.9.2:
Fixed some small bugs in drawing behavior.
When a Tool menu option is chosen, the target molecule is now highlighted
  on mouse over.
Added more options to right-click menu.
Added reverse reaction prediction.
Double clicking on text allows edit.
XDrawChem can produce 3-D structures using the external program BUILD3D.
Fixed issues with coordinate system.

version 1.9.1:
Updated German translation.  Thanks to Daniel Leidert for this work.
Fixed some keyboard and text input issues.  Mainly, it's possible to label
  carbons again, and type characters that are not US-English letters and
  numbers.  This should also fix some format issues.
You can now change font settings within XDrawChem and have them saved between
  sessions.
Fixed arrow behavior.  All arrow types render correctly, and it's possible
  to change the thickness of some arrow types.
Fixed custom rings dialog.  Custom rings saved to user's home directory
  now appear on menu correctly.  Menu is also dynamically updated, so new
  structures appear immediately without need to restart XDrawChem.

version 1.9:
Added Russian language translation file.  Thanks to Vitaly Lipatov and Roman
  Borisyuk for conributing this work.
Fixed dialogs that display Help.  It's now possible to use the Help dialog, 
  and close it without closing the tool you are using.
Eliminated Elemental analysis dialog.  This feature is now part of Molecule
  Information.
Fixed a bug in the text tool that caused a segfault when clicking off of an
  empty text field.  Also updated text toopl behavior to more accurately show
  what would be selected, moved, etc. on mouse click.
Fixed a bug where aromatic and other rings would have infinite scale and
  random rotation if attached to an existing bond.  Rings now attach
  correctly, even to vertical bonds.
Keyboard input for non-English users is fixed.  You can finally type letters
  with umlauts (e.g., "Säure") and other accents.
You can paste text from other applications with Ctrl+V.  However, you must
  select the Text tool first and create a new text box.
The width of any bond (double, triple, dashed, ...) may be changed now.

version 1.8.5:
Fixed EPS output by using "ps2epsi" script supplied with GhostScript to
  process the file.
Updated some deprecated functions to current version and fixed some
  warnings.
(contributed) Made some pixmaps transparent to improve print quality.

version 1.8.4:
Names retrieved from the database are correctly displayed now.
Right-clicking on a molecule brings up a popup list of actions.  Currently,
  select molecule, cut, copy and molecule info are available this way.

version 1.8.3:
Updated Polish translation.
Pressing Escape now puts you back in select mode, regardless of current state.
Moved XDrawChem database, and eliminated dependency of frowns, sort of.
  Canonical SMILES is now found by querying a cgi-bin script, so if you
  have net access, you can access all DB features now.

version 1.8.2:
Zoom/magnify tools now exist.
Double bond alignment fixes.  You can set a specific double bond style
  by right-clicking on the double bond.
Updated configure script with Geoffrey Wossum's excellent macro for finding
  Qt and setting variables.  http://autoqt.sf.net/

version 1.8.1:
Improved Undo feature.
Code cleanup and arrangement:  compiles much faster now.

version 1.8:
Added circle and square tools.
Changed menu structure a bit.
Added Italian language file.
Improved database -- it's now possible to get CAS number and sometimes
  name from a molecule structure.  Database back-end changes have also
  improved lookup based on name and CAS.
Fixed some bugs, see SourceForge bug tracker.

version 1.7.8:
Added lasso tool.
Fixed bug 900782.
Updated to use OpenBabel 1.100.2 (and later)

version 1.7.7:
Bug fix release -- fixed EPS bounds and buggy text alignment.
Administrative:  moved everything to SourceForge.net, put source in CVS.

version 1.7.6:
Bug fix release -- fixed null pointer bug in file save.
XDrawChem can now draw hex grid.

version 1.7.5:
EPS output should now draw text better.
A "Did You Know?" dialog was added.
configure script updated to use latest autoconf/automake.
OpenBabel is no longer bundled.  You will need to download it separately.
--(from http://openbabel.sourceforge.net/ ; OB version must be 1.100.1)
Translation .po and .pot files were updated (sorry that I forgot these!)

version 1.7.4:
Program now supports English and metric units.

version 1.7.3:
Added ruler and square grid.
Added octanol-water partition (Kow) calculator.
Updated OB source directory.

version 1.7.2:
Fixed an issue with EPS/PostScript output.
Added new Danish and Polish translations.

version 1.7.1:
Improved p orbital symbols.
(Hopefully) fixed bug with saving pictures.

version 1.7:
Added half and full arrowheads for Bezier curves.
Updated documentation.
Fixed double->int conversions so that rounding is done rather than truncation.
  (should improve drawing appearance)
Generated an xdrawchem.pot file for translation.

version 1.6.10:
Fixed a printing bug where lines were drawn over text.
Added pKa estimation.

version 1.6.9:
Added "wavy" bond type.
Page setup preferences (page size, orientation, etc.) are now saved.

version 1.6.8:
Bug fix release.  No significant new features.

version 1.6.7:
Added file type auto-detect.
Added aliphatic chain tool.
Added Newman projection.

version 1.6.6:
Added option to not add hydrogens and format.
New text options: left, center, right justify.

version 1.6.5:
Fixed CDX/CDXML open and save operations.
Added new drawing options: box, ellipse, cubic bezier, new arrow style.

version 1.6.4:
Added new spectrum dialog.
Fixed text behaviors -- backspace and delete behavior and display of carbon.
Added option to put subscript on brackets.

version 1.6.3:
Combined open and save menus, eliminated import/export options.
Command line conversion (molecule -> image) is now possible.

version 1.6.2:
Fixed compilation to work on newer gcc.
Updated OpenBabel library code.
Updated Windows version to include OpenBabel.

version 1.6.1:
Added translation files for Danish (dk) and Japanese (jp).
Patched SMILES dialog to use OpenBabel. (contributed by Brett Saunders)
Fixed several memory leaks.
Fixed Delete key behavior.
Added symbol font.
Re-implemented (some) event handling to use Qt signal-slot architecture.

version 1.6:
Latest stable release.
Clipboard works again, and works with curve arrows and symbols correctly.
Added help to some dialogs.

version 1.5.5:
Code cleanup.
Automatic scaling on file read or import operation.
Changed behavior of select tool when moving bonds.

version 1.5.4:
File export via OpenBabel is implemented.
Fixed some namespace issues.

version 1.5.3:
Added configure switch to control whether OpenBabel is built.
Added configure switch to specify which flavor of Qt to use.
File import via OpenBabel is implemented.

version 1.5.2:
New HTML-based manual.
autoconf/automake build implemented.  See INSTALL.txt

version 1.5.1:
Partial OpenBabel integration.
Numerous usability and file format fixes.
Save custom ring dialog added.

version 1.5:
(UNIX) Stereo bonds now print correctly.
The annoying ring placement bug has been fixed  :)
Improved 1H NMR prediction -- chiral centers, better shift prediction.

version 1.4.2:
Limited 1H NMR prediction ability.
Fixed bug with deleting labels (again).
MDL Molfile now saved correctly.
(Windows) Stereo-down bonds are drawn correctly.

version 1.4.1:
Fixed parentheses printing (EPS mode)
Fixed bug with saving/restoring where element name saved incorrectly
Delete key on highlighted text behaves correctly now.
Ctrl+B, Ctrl+I, Ctrl+U, Ctrl-Plus, Ctrl-Minus shortcuts on text.
  (Bold, Italic, Underline, Superscript, Subscript, respectively)
Fixed hydrogen calc and attach point for more groups:  "CO", "SO"
Fixed printing of symbols (i.e., learn to print bitmaps)

version 1.4:
Bug fixes:  redraw, text placement, etc.  Added some templates.
Smart placement.  Automatic attachment of amino acids and rings.

version 1.3.2:
Bug fix release:  pointers, getenv(), -lqt vs. -lqt-mt, fonts, etc.
Really fixed EPS bug this time, I hope.

version 1.3.1:
Added pictures to menus for "standard" items.
Fixed EPS export bug.

version 1.3:
Preferences are now saved.  (The directory is platform-dependent)
Simple reaction analysis: Free energy change estimate, 13C NMR comparison.

version 1.2:
Consolidated all molecule info stuff into one dialog.
Added features to group molecules into reactants and products.
Switched to GPL (woo hoo!)

version 1.1.1:
Fixed a bug with screen clearing and double buffering.
Code cleanup.

version 1.1:
Structure cleanup has improved -- aliphatics no longer drawn as straight lines.
Changed drawing of carbonyl and imine double bonds.
New CML parser - used Qt's XML parsing functions.

version 1.0.2:
Molecular weight and empirical formula are displayed on the status line
  before pasting.
Can paste elemental analysis data into the drawing.
Moving towards using a Preferences class to store user settings.

version 1.0.1:
Rings are not placed automatically; click to place rings.
Screen drawing is now double-buffered.  Flicker should be reduced.
More intelligent text placement.  Automatically adds hydrogens.
Added symbol:  stereochemical ring hydrogen.
Added ring templates:  indole, purine, pyrimidine, steroid backbone.

version 1.0:
First "stable" release.
Fixed some things:  memory allocation, selection issues.
Shift-drag over part of a molecule selects the entire molecule.
IR spectrum prediction improved.
Export Peak Lists from 13C NMR and IR copies peak list to clipboard.
Fixed length and angle of bond and arrow are now controlled separately. 
XDrawChem can now use Babel.  Added features if Babel is installed:
  Can read and write PDB files.  
  Can output SMILES strings.

version 0.99.9:
Fixed more behavior bugs.
Double and triple bonds are drawn a little better now.
Same code compiles on Windows and UNIX.  Visual C++ project file
  now included.
Hydrogens added automatically in SMILES and structure cleanup.
Title bar now says "XDrawChem".

version 0.99.8:
Fixed some behavior bugs.
Fixed some code incompatibility between Windows and UNIX with conditional
  compile statements.
Added SVG export support.  (Under "Save picture")
Added ChemDraw(TM) XML export support.  (Under "Save as...")

version 0.99.7:
Make text placement slightly smarter.
Implemented copy to system clipboard and drag and drop.  This uses the
  Qt library objects QImageDrag and QClipboard; I am not sure what
  applications can interact with items from Qt applications.
Received (or created from old language_*.h) new translation files.
  Dutch, French, German and English now supported.
Created mailing list:  xdrawchem-announce@lists.sourceforge.net

version 0.99.6:
Bugfix release - conditional compiling should still allow compilation with
Qt 2.3.x, and fixed elemental analysis and EPS output.
Added translation sources (.ts files) for French (fr), German (de),
Italian (it), Dutch (nl), Spanish (es), and Portugese (pt and br - Brazil).
The text is still in English and needs translating with Qt Linguist :)

version 0.99.5:
Default print resolution is 100 dpi -- so 25 point lines on screen equal
  1/4 inch on paper, etc.
Now using Qt 3.0 langauge support - no more language_*.h files.
Network access now uses Qt 3.0 HTTP support, eliminating curl dependency.

version 0.99.4:
Implemented structural diagram generation based on JMDraw.
Added SMILES interpreter.
Added molecule clean-up function.

version 0.99.3:
Fixed problem with text rendering when printing.

version 0.99.2:
Split ring menu into categories.
Added automatic text placement.
Added German manual.

version 0.99.1:
Fixed compile bug(s).

version 0.99:
Added edit functions.
Added more help strings.
Started to fix localization.

version 0.98:
Added database access components.

version 0.97:
Added French, German, and Polish languages.

version 0.96:
Added some language support.
Changed the way double bonds are handled.  Aromatics etc. look nicer.
Added arrow styles - dashed, bidirectional, retrosynthetic, 90 and 270
  degree curve arrows.

version 0.95:
Added colors and background.
Added bold, italic, and underline options for text.
Added page setup and tinkered with printing.

version 0.94:
Implemented Undo.
First Windows build released.

version 0.93:
Added bracket styles.
Import of binary ChemDraw (CDX) files. (not perfect, of course :)
Basic IR prediction.

version 0.92:
Finally, you can do "make install"!
Improved handling of CDXML [ChemDraw(TM) XML text] file types.

version 0.91:
Added empirical formula calculation.
Added elemental analysis.
Fixed some behaviors (text and selection).

version 0.9:
Rewrote nearly everything.
UI changes.
Added curve arrow.
Improved symbols.
13C NMR prediction.

version 0.85:
Added Rotate functions (under Edit menu).
Consolidated Flip functions (under Edit menu).
Added Insert menu under Edit menu; can now insert CML/XML files.
Started to migrate pre-defined rings to CML format.
Can read simple ChemDraw XML (text only!) files.
Can write simple Encapsulated PostScript (EPS) files.

version 0.84:
Added Info window and functions.
Fixed MW calculator.
Fixed some things in Format menu.
Changed Alignment functions; now under Tools menu.
Alignment functions now collected as Auto Layout.
Better support for XML documents.  (Auto scale and placement)
Changed ring dialog; added all common amino acids and nucleic acids.

version 0.83:
Bug fixes, add more rings, update manual, etc.
Improved MDL Molfile support (still doesn't meet spec, but closer now)
Improved XDrawChem file format to store element info.
Added Undo (may not be able to undo everything!).
Added Mass Calculator.
Changed and improved text editor - now can properly do super- and subscript, 
  and support multi-line entry.
Added some support for 2-D CML (Chemical Markup Language) files.

version 0.82:
Added support for PNG image files.
Ability to flip horizontal/vertical.
Dashed line support.
Symbol support.
Changed install procedure and Makefile to point to correct ring file location.

version 0.81:
Added more rings. (This will probably happen every release.)
Wrote more manual pages. (This will also probably happen every release.)
Bug fixes. (I really hope to do this every release too.)
Added color.
Changed ring dialog so "tool tips" appear to identify each ring.
Line drawing now tells length and angle of the line being drawn.
Manual is not modal anymore, so you can continue working with the manual open.
There is now a user-defined page size which allows you to specify the pixel
  size of the drawing widget (this is most useful for creating images).
You can now set the fixed angle used in fixed length/angle mode.

version 0.8:
First public release.