Balloon

Change log

Version 1.8.0 (1 March 2021)(rebuild for Linux on 10 April 2021)

Version 1.7.0 (11 October 2020)

Version 1.6.9 (20 August 2019)

Version 1.6.8 (16 March 2019)(rebuild for Linux on March 26 2019)

Version 1.6.7 (Jun 27 2018)(rebuild for Mac OS X on Aug 24 2018)

Version 1.6.6 (7 Jan 2018)

Version 1.6.5 (25 Dec 2017)

Version 1.6.4.1258 (Wed 1 June 2016)

Version 1.6.3.1249 (Mon 2 Nov 2015)

Version 1.6.2.1236 (Mon 13 July 2015)

Version 1.6.1.1220 (Sun 31 May 2015)

Version 1.6.0.1215 (Mon 18 May 2015)

Version 1.5.0.1143 (Mon 24 February 2014)

Version 1.4.1.1068 (Sun 14 July 2013)

Version 1.4.0.1036 (Sun Dec 2 2012)

Version 1.3.1.983 (Thu Jul 12 2012)

Version 1.3.0.950 (Mon Apr 23 2012)

Version 1.2.2.927 (Sat Feb 25 2012)

Version 1.2.1.918 (Fre Dec 23 2011)

Version 1.2.0.915 (Mon Dec 5 2011)

Version 1.1.1.904 (Sun Oct 16 2011)

Version 1.1.0.866 (Tue May 17 2011)

Version 1.0.3.772 (Mac only) (Fri Sep 3 2010)

Version 1.0.3.734 (Thu Jun 17 2010)

Version 1.0.2.618 (Fri Feb 19 2010)

Version 1.0.1.484 (Sun Nov 29 2009)

Version 1.0.0.389 (Sun Oct 4 2009)

Known issue: the version built for linux kernel 2.2.5 segfaults when it exits with an error message. This is a known bug in older versions of the GNU standard C++ library and has to do with using threads in a statically linked application; Static linking is needed to ensure the portability of Balloon. Unfortunately we could not find a linux distribution with an old kernel but a new enough compiler to avoid this behaviour.

Version 0.6.15.4943 (Sat Jan 17 2009)

Version 0.6.14.4917 (Sun Dec 14 2008)

Version 0.6.13.4864 (Wed Oct 8 2008)

Version 0.6.12.4799 (Wed Aug 20 2008)

Version 0.6.11.4784 (Tue Jul 15 2008)

Version 0.6.10.4772 build Jul 14

Version 0.6.10.4772 (Fri Jul 11 2008)

Version 0.6.9.4762 (Mon Jul 7 2008)

Version 0.6.8.4706 (Fri May 2 2008)

Version 0.6.7.4687 (Sat Apr 12 2008)

Changed the compiler and build system for Windows, therefore only one generic Windows binary is provided from now on.

Version 0.6.6.4641 (Mon Mar 17 2008)

Version 0.6.5.4575 (Wed Jan 24 2008)

Version 0.6.4.4527 (Wed Dec 5 2007)

Version 0.6.3.4508 (Tue Nov 27 2007)

Version 0.6.2.4485 (Sat Nov 10 2007)

Version 0.6.1.4437 (Thu Oct 11 2007)

Version 0.6.0.4395 (Sat Aug 4 2007)

Version 0.5.2.4306 (Mon, Apr 16 2007)

First release for Mac OS X.

Version 0.5.1.4284 (Fri, Mar 30 2007)

Version 0.5.0.4276 (Tue, Mar 27 2007)

Many bugfixes and improvements including but not limited to:

Version 0.4.0.4194 (Tue, Dec 5 2006)

Changes in distance geometry: Changes in the handling of stereochemical centers, most notably fixed a bug in restricting stereoconfiguration of double bonds.
Changes in the inner workings of the genetic algorithm.
Many changes in the command-line options.
Downhill simplex minimization is now used only as an option.
Better error reporting for failed structures.

Version 0.3.0.4153 (Fri, Oct 19 2006)

Changes in the handling of stereochemical centers; Incorrect chiralities are now very seldom reported. Structures for which the GA fails to produce a valid stereoconfiguration will be output to the 'bad' structures file.
Initial geometry optimization now utilizes downhill simplex minimization prior to conjugate gradient in order to "shake" the structure away from unrealistic minima.
Changes in printout in verbose mode.

Version 0.2.1.4147 (Fri, Oct 13 2006)

Changes in the handling of input geometry when using '--keepInitial' switch and the genetic algorithm: The input geometry will be used as basis for the evolved conformers, without generation of an initial geometry via distance geometry.
Fixed a bug in the gradient calculation of the distance geometry penalty function. The initial geometry generation is now much more stabile.
Fixed a bug in hydrogen adjustment.
Fixed a bug in SD file parser that caused program to crash when parsing a SD file that contains no 'M END' after the CTAB.
Statistics are now output on-the-fly to a file. Also the name of each molecule is written out.

Version 0.2.0.4124 (Fri, Sep 29 2006)

Changes in the geometry optimization in the post-processing phase of the genetic algorithm. The output energies are now comparable to that reported for the input geometry (if included in the output).
Added output of bad geometries (failures to generate initial geometry) to a separate file
Improved calculation of statistics on the geometries of conformer ensembles.
Changes in program output when verbose.
Fixed program crash due to structures with elements unknown to the force field. As a consequence, lone pairs and dummy atoms will be removed from output structures.

Version 0.1.1.4109

GA finalization speedup. Minor fixes in printout of molecule names.

Version 0.1.1.4101

Several bugfixes, including some in stereochemistry and aromaticity recognition. Multiple input files can now be specified either on command line or in a configuration file. The conformer generation was changed to use the genetic algorithm by default and the corresponding option switch was removed. Results obtained using this version were presented in a poster during the Euro-QSAR symposium 10 - 17 September 2006 on the Mediterranea Sea.

Version 0.1.0.4070

First release.