File openbabel.changes of Package openbabel
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Mon Sep 13 00:54:59 UTC 2010 - cristian.rodriguez@opensuse.org
- Do not include build dates in binaries.
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Sat Sep 11 17:16:44 UTC 2010 - alinm.elena@gmail.com
- added pkg-config to remove the error during the build
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Sat Sep 11 09:03:40 UTC 2010 - alinm.elena@gmail.com
- Updated to OpenBabel 2.2.3
* Improved Java interface
* Many fixes to the fingerprint code
* Added support of the pH parameter to the GUI
* Several bug fixes and small enhancements-
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Sat Jul 25 23:48:41 CEST 2009 - beineri@opensuse.org
- update to OpenBabel 2.2.2:
* Fixed many stereochemistry errors when reading/writing SMILES.
* Significantly improved aromaticity and Kekule bond assignment.
* Improved 2D -> 3D coordinate generation
* Improved coordinate generation using --gen3d command-line operation
* Improved performance for coordinate generation.
* New --fillUC command-line operation for babel.
* Fixes to pH-dependent hydrogen addition.
* Added support for reading vibrational data from Molden, Molpro,
and NWChem output files.
* Updated atomic radii from recent theoretical calculations.
* Fixed bug when reading gzip-compressed Mol2 or XML files.
* Close files after an error. Fixes a bug with Pybel where files
would remain open.
* New File Formats Import & Export:
- Molpro input and output.
-VASP coordinate files (CONTCAR and POSCAR).
- update to OpenBabel 2.2.1:
* Added support for MACCS fingerprints.
* Many fixes and enhancements to the force field code.
* Improved 3D coordinate generation, particularly with ring fragments.
* Fixed a variety of PDB import errors with atom types.
* Added support for reading charges and radii from PQR file formats.
* Added support for reading and writing unit cells in PDB formats.
* New "output" file format for taking generic ".out", ".log", and
".dat" files and reading with appropriate file type based on contents.
* Added improved error handling/reporting when unable to load file formats.
* Improved CIF file format support.
* Generic "output" format for reading from quantum chemistry files.
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Tue Jul 22 14:13:26 CEST 2008 - dmueller@suse.de
- cripple tarball to remove binary dll's we don't need (bnc#411171)
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Sat Jul 19 12:43:49 CEST 2008 - dmueller@suse.de
- various fixes, fix library package name
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Wed Jul 9 16:02:10 CEST 2008 - dmueller@suse.de
- review last change
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Wed Jul 9 15:52:31 CEST 2008 - cniehaus@kde.org
- update to OpenBabel 2.2.0:
* http://openbabel.org/wiki/Open_Babel_2.2.0
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Sun Oct 21 12:44:24 CEST 2007 - dmueller@suse.de
- gcc 4.3 fixes
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Tue Oct 9 01:07:21 CEST 2007 - dmueller@suse.de
- Initial package (2.1.1)
