[OpenBabel-Devel] [ openbabel-Bugs-3579272 ] perl bindings fail to configure in 2.3.2

2012-10-22 Thread SourceForge . net
Bugs item #3579272, was opened at 2012-10-22 15:34 Message generated for change (Tracker Item Submitted) made by cwilling You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3579272group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3577834 ] azides don`t get properly indexed or found

2012-10-17 Thread SourceForge . net
Bugs item #3577834, was opened at 2012-10-17 05:46 Message generated for change (Tracker Item Submitted) made by witekmo You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3577834group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3577928 ] Fix non-Darwin Makefile generation

2012-10-17 Thread SourceForge . net
Patches item #3577928, was opened at 2012-10-17 16:21 Message generated for change (Tracker Item Submitted) made by cwilling You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3577928group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3577236 ] out of tree build failure with python

2012-10-14 Thread SourceForge . net
Bugs item #3577236, was opened at 2012-10-14 16:05 Message generated for change (Tracker Item Submitted) made by cwilling You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3577236group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3574537 ] New lpmd-format

2012-10-04 Thread SourceForge . net
Patches item #3574537, was opened at 2012-10-04 11:20 Message generated for change (Tracker Item Submitted) made by jperaltac You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3574537group_id=40728 Please note that this message will contain a full copy of

[OpenBabel-Devel] [ openbabel-Bugs-3569548 ] gen3D fails on some molecules

2012-09-19 Thread SourceForge . net
Bugs item #3569548, was opened at 2012-09-19 08:34 Message generated for change (Tracker Item Submitted) made by dhouston6 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3569548group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3568825 ] gen2D fails almost always in java

2012-09-18 Thread SourceForge . net
Bugs item #3568825, was opened at 2012-09-18 02:13 Message generated for change (Tracker Item Submitted) made by fglab You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3568825group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3568884 ] Segmentation fault when converting with java bindings

2012-09-18 Thread SourceForge . net
Bugs item #3568884, was opened at 2012-09-18 04:53 Message generated for change (Tracker Item Submitted) made by joannakocot You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3568884group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3564721 ] S(C)(C)C not correctly interpreted by SMILES reader

2012-09-04 Thread SourceForge . net
Bugs item #3564721, was opened at 2012-09-04 08:01 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3564721group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3557898 ] charge wrongly calculated

2012-08-15 Thread SourceForge . net
Bugs item #3557898, was opened at 2012-08-15 05:50 Message generated for change (Tracker Item Submitted) made by psxjp You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3557898group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3556863 ] eigen2 + trunk or 2.3.1

2012-08-13 Thread SourceForge . net
Bugs item #3556863, was opened at 2012-08-12 23:27 Message generated for change (Tracker Item Submitted) made by dn2010 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3556863group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-File Format Support-3555604 ] finpecia wiki

2012-08-09 Thread SourceForge . net
File Format Support item #3555604, was opened at 2012-08-09 01:56 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=447448aid=3555604group_id=40728 Please note that this message will contain a full

[OpenBabel-Devel] [ openbabel-Bugs-3550987 ] Problems building perl bindings MacOSX 10.8

2012-07-28 Thread SourceForge . net
Bugs item #3550987, was opened at 2012-07-28 12:11 Message generated for change (Tracker Item Submitted) made by do0gie You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3550987group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3550066 ] sdf to smi conversion - aromaticity of rings fails

2012-07-27 Thread SourceForge . net
Bugs item #3550066, was opened at 2012-07-27 09:11 Message generated for change (Tracker Item Submitted) made by jgerlits You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3550066group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3547594 ] SVG file creation

2012-07-23 Thread SourceForge . net
Bugs item #3547594, was opened at 2012-07-23 05:28 Message generated for change (Tracker Item Submitted) made by dufresne0 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3547594group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-File Format Support-3547233 ] 4wwUYP a href=http://iwpiaemgfmfl.com/iwpiaemgfmfl/a,

2012-07-22 Thread SourceForge . net
File Format Support item #3547233, was opened at 2012-07-22 04:40 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=447448aid=3547233group_id=40728 Please note that this message will contain a full

[OpenBabel-Devel] [ openbabel-Bugs-3544645 ] Segfault while creation of SVG files

2012-07-16 Thread SourceForge . net
Bugs item #3544645, was opened at 2012-07-16 08:16 Message generated for change (Tracker Item Submitted) made by dufresne0 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3544645group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3542290 ] SDF round-trip error with explicit H atoms

2012-07-10 Thread SourceForge . net
Bugs item #3542290, was opened at 2012-07-10 17:05 Message generated for change (Tracker Item Submitted) made by cjames53 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3542290group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3540410 ] error in comparison of two strings in getAtomicNumber

2012-07-05 Thread SourceForge . net
Bugs item #3540410, was opened at 2012-07-05 03:00 Message generated for change (Tracker Item Submitted) made by joclerc You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3540410group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3540439 ] error in comparison of two strings in getAtomicNumber

2012-07-05 Thread SourceForge . net
Bugs item #3540439, was opened at 2012-07-05 04:42 Message generated for change (Tracker Item Submitted) made by joclerc You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3540439group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3537207 ] gen2D fails on ordinary molecule

2012-06-22 Thread SourceForge . net
Bugs item #3537207, was opened at 2012-06-22 09:07 Message generated for change (Tracker Item Submitted) made by cjames53 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3537207group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3536261 ] SMARTS matching failure

2012-06-19 Thread SourceForge . net
Bugs item #3536261, was opened at 2012-06-19 03:53 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3536261group_id=40728 Please note that this message will contain a full copy of the comment

[OpenBabel-Devel] [ openbabel-Bugs-3536016 ] GUI on Windows display in Firefox prob

2012-06-18 Thread SourceForge . net
Bugs item #3536016, was opened at 2012-06-18 07:42 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3536016group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3534201 ] obabel segfaults on misformed command line

2012-06-11 Thread SourceForge . net
Bugs item #3534201, was opened at 2012-06-10 13:48 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3534201group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3532154 ] Will not accept save path

2012-06-05 Thread SourceForge . net
Bugs item #3532154, was opened at 2012-06-05 06:11 Message generated for change (Tracker Item Submitted) made by spmolnar You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3532154group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3530875 ] geometry only molden files as input hang

2012-05-30 Thread SourceForge . net
Bugs item #3530875, was opened at 2012-05-30 10:41 Message generated for change (Tracker Item Submitted) made by mbanck You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3530875group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3530068 ] Silence -Wnarrowing

2012-05-27 Thread SourceForge . net
Patches item #3530068, was opened at 2012-05-27 04:33 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3530068group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3530071 ] Fix possible 64bit issues

2012-05-27 Thread SourceForge . net
Patches item #3530071, was opened at 2012-05-27 04:38 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3530071group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3530073 ] Silence -Wdelete-non-virtual-dtor

2012-05-27 Thread SourceForge . net
Patches item #3530073, was opened at 2012-05-27 04:43 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3530073group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3529530 ] Valid SMILES rejected

2012-05-24 Thread SourceForge . net
Bugs item #3529530, was opened at 2012-05-24 11:10 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3529530group_id=40728 Please note that this message will contain a full copy of the comment

[OpenBabel-Devel] [ openbabel-Bugs-3529538 ] SMILES 32767 characters silently truncated

2012-05-24 Thread SourceForge . net
Bugs item #3529538, was opened at 2012-05-24 11:42 Message generated for change (Tracker Item Submitted) made by cjames53 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3529538group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3528927 ] SMILES parser loses aromaticity of fullerene

2012-05-22 Thread SourceForge . net
Bugs item #3528927, was opened at 2012-05-22 13:33 Message generated for change (Tracker Item Submitted) made by cjames53 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3528927group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3528540 ] Stereo due to isotopes not supported

2012-05-21 Thread SourceForge . net
Bugs item #3528540, was opened at 2012-05-21 02:22 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3528540group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3528614 ] MCDL uninitialized memory error

2012-05-21 Thread SourceForge . net
Bugs item #3528614, was opened at 2012-05-21 08:40 Message generated for change (Tracker Item Submitted) made by cjames53 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3528614group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3526866 ] Incorrect reading number of bonds from V2000 MOL/SDF

2012-05-15 Thread SourceForge . net
Bugs item #3526866, was opened at 2012-05-15 01:18 Message generated for change (Tracker Item Submitted) made by jvoorhees You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3526866group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3526900 ] Chiral centers not always identified

2012-05-15 Thread SourceForge . net
Bugs item #3526900, was opened at 2012-05-15 04:26 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3526900group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3526902 ] Reading some InChI radicals fails

2012-05-15 Thread SourceForge . net
Bugs item #3526902, was opened at 2012-05-15 04:45 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3526902group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3526933 ] Stereo lost at tet N due to N=O marked as sp2

2012-05-15 Thread SourceForge . net
Bugs item #3526933, was opened at 2012-05-15 07:24 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3526933group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3526485 ] Silence another set of compiler warnings

2012-05-14 Thread SourceForge . net
Patches item #3526485, was opened at 2012-05-14 00:45 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3526485group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3526035 ] Update for gro format

2012-05-12 Thread SourceForge . net
Patches item #3526035, was opened at 2012-05-12 00:43 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3526035group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3526150 ] genbankformat: Undefined ReadFASTASequence

2012-05-12 Thread SourceForge . net
Bugs item #3526150, was opened at 2012-05-12 12:39 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3526150group_id=40728 Please note that this message will contain a full copy of the comment

[OpenBabel-Devel] [ openbabel-Bugs-3521611 ] Handling two stereobonds at a tet center

2012-04-26 Thread SourceForge . net
Bugs item #3521611, was opened at 2012-04-26 04:29 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3521611group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3516413 ] Some OpenBabel-generated mol files won't be read by RDkit

2012-04-10 Thread SourceForge . net
Bugs item #3516413, was opened at 2012-04-10 04:39 Message generated for change (Tracker Item Submitted) made by ssorgatem You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3516413group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3513220 ] Depiction should render unknown dbl bond stereo

2012-03-30 Thread SourceForge . net
Bugs item #3513220, was opened at 2012-03-30 05:32 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3513220group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Feature Requests-3509301 ] Non-zero exit code on error

2012-03-20 Thread SourceForge . net
Feature Requests item #3509301, was opened at 2012-03-20 01:46 Message generated for change (Tracker Item Submitted) made by ipsecog You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428743aid=3509301group_id=40728 Please note that this message will contain a full

[OpenBabel-Devel] [ openbabel-Bugs-3505116 ] genalias does not remove hydrogens in the aliased group

2012-03-15 Thread SourceForge . net
Bugs item #3505116, was opened at 2012-03-15 03:34 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3505116group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3498131 ] Wrong valence for Radicals

2012-03-06 Thread SourceForge . net
Bugs item #3498131, was opened at 2012-03-06 17:26 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3498131group_id=40728 Please note that this message will contain a full copy of the comment

[OpenBabel-Devel] [ openbabel-Bugs-3496072 ] Smarts and group additivity issue

2012-03-01 Thread SourceForge . net
Bugs item #3496072, was opened at 2012-03-01 12:19 Message generated for change (Tracker Item Submitted) made by You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3496072group_id=40728 Please note that this message will contain a full copy of the comment

[OpenBabel-Devel] [ openbabel-Bugs-3481603 ] Missing stereo when expanding alias

2012-01-30 Thread SourceForge . net
Bugs item #3481603, was opened at 2012-01-30 03:34 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3481603group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3481605 ] Splitting file to generate multiple PNGs doesn't work

2012-01-30 Thread SourceForge . net
Bugs item #3481605, was opened at 2012-01-30 03:39 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3481605group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-File Format Support-3470246 ] Support for ACDlabs .sk2 file format

2012-01-06 Thread SourceForge . net
File Format Support item #3470246, was opened at 2012-01-06 03:46 Message generated for change (Tracker Item Submitted) made by nobody You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=447448aid=3470246group_id=40728 Please note that this message will contain a full

[OpenBabel-Devel] [ openbabel-Bugs-3469904 ] HBA1 descriptor calculation goes crazy, but only sometimes

2012-01-05 Thread SourceForge . net
Bugs item #3469904, was opened at 2012-01-05 10:03 Message generated for change (Tracker Item Submitted) made by ssorgatem You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3469904group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3454303 ] obgrep R/S stereomatching wrong?

2011-12-08 Thread SourceForge . net
Bugs item #3454303, was opened at 2011-12-08 00:45 Message generated for change (Tracker Item Submitted) made by ergo70 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3454303group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3452445 ] fillUC creates duplicate atoms

2011-12-06 Thread SourceForge . net
Bugs item #3452445, was opened at 2011-12-06 06:38 Message generated for change (Tracker Item Submitted) made by coudert You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3452445group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3452482 ] Fix fillUC

2011-12-06 Thread SourceForge . net
Patches item #3452482, was opened at 2011-12-06 07:22 Message generated for change (Tracker Item Submitted) made by coudert You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3452482group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3452697 ] fillUC: Wrap atoms in unit cell with some fuzziness

2011-12-06 Thread SourceForge . net
Patches item #3452697, was opened at 2011-12-06 11:38 Message generated for change (Tracker Item Submitted) made by coudert You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3452697group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3448379 ] SERINE residue incorrectly converted when last residue

2011-12-02 Thread SourceForge . net
Bugs item #3448379, was opened at 2011-12-02 07:37 Message generated for change (Tracker Item Submitted) made by kevinrue You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3448379group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3436235 ] VASP format output

2011-11-10 Thread SourceForge . net
Patches item #3436235, was opened at 2011-11-10 13:46 Message generated for change (Tracker Item Submitted) made by kelum You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3436235group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3436249 ] Man page version information is outdated

2011-11-10 Thread SourceForge . net
Bugs item #3436249, was opened at 2011-11-10 14:21 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3436249group_id=40728 Please note that this message will contain a full copy of the comment

[OpenBabel-Devel] [ openbabel-Bugs-3429323 ] -DBUILD_GUI=ON required installing libwxbase2.8-dev

2011-10-27 Thread SourceForge . net
Bugs item #3429323, was opened at 2011-10-27 15:30 Message generated for change (Tracker Item Submitted) made by gurke111 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3429323group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3429339 ] -DBUILD_GUI=ON required installing libwxgtk2.8-dev

2011-10-27 Thread SourceForge . net
Bugs item #3429339, was opened at 2011-10-27 16:19 Message generated for change (Tracker Item Submitted) made by gurke111 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3429339group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3428423 ] @TH class isn't supported

2011-10-25 Thread SourceForge . net
Bugs item #3428423, was opened at 2011-10-25 23:16 Message generated for change (Tracker Item Submitted) made by dalke You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3428423group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3428428 ] incomplete check for @SP chiral class

2011-10-25 Thread SourceForge . net
Bugs item #3428428, was opened at 2011-10-25 23:27 Message generated for change (Tracker Item Submitted) made by dalke You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3428428group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3428432 ] memory leak with evil SMILES

2011-10-25 Thread SourceForge . net
Bugs item #3428432, was opened at 2011-10-25 23:35 Message generated for change (Tracker Item Submitted) made by dalke You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3428432group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3427739 ] Incorrect InChI to inchikey conversion

2011-10-24 Thread SourceForge . net
Bugs item #3427739, was opened at 2011-10-24 12:02 Message generated for change (Tracker Item Submitted) made by ssorgatem You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3427739group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3428027 ] incorrect treatment of aromatic with explicit bond

2011-10-24 Thread SourceForge . net
Bugs item #3428027, was opened at 2011-10-25 00:51 Message generated for change (Tracker Item Submitted) made by dalke You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3428027group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3426902 ] Incorrect InChI to inchikey conversion

2011-10-21 Thread SourceForge . net
Bugs item #3426902, was opened at 2011-10-21 16:04 Message generated for change (Tracker Item Submitted) made by ssorgatem You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3426902group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3425892 ] InChi ti InChiKey gives segmentation fault on 2.3.1

2011-10-19 Thread SourceForge . net
Bugs item #3425892, was opened at 2011-10-19 13:38 Message generated for change (Tracker Item Submitted) made by ssorgatem You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3425892group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3425216 ] define bond order as constant or introduce AddAromaticBond()

2011-10-18 Thread SourceForge . net
Bugs item #3425216, was opened at 2011-10-18 12:49 Message generated for change (Tracker Item Submitted) made by dma_k You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3425216group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3424378 ] Decompact plugin.h macros for readability

2011-10-16 Thread SourceForge . net
Patches item #3424378, was opened at 2011-10-16 16:05 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3424378group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3423013 ] Non-tet stereo wrongly identified as tet center

2011-10-13 Thread SourceForge . net
Bugs item #3423013, was opened at 2011-10-13 16:54 Message generated for change (Tracker Item Submitted) made by baoilleach You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3423013group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3417992 ] MOPAC to MOL gives segmentation fault

2011-10-03 Thread SourceForge . net
Bugs item #3417992, was opened at 2011-10-03 12:02 Message generated for change (Tracker Item Submitted) made by gmagoon You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3417992group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3409984 ] Check supplied internal coordinate vector

2011-09-15 Thread SourceForge . net
Patches item #3409984, was opened at 2011-09-15 17:54 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3409984group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3410220 ] 3D atom connectivity error in pdbqt

2011-09-15 Thread SourceForge . net
Bugs item #3410220, was opened at 2011-09-15 14:51 Message generated for change (Tracker Item Submitted) made by ianlscott1 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3410220group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3403862 ] Mishandling N+ implict Hcounts

2011-09-03 Thread SourceForge . net
Bugs item #3403862, was opened at 2011-09-03 21:17 Message generated for change (Tracker Item Submitted) made by do0gie You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3403862group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Patches-3399369 ] Fix tests with Python 3

2011-08-27 Thread SourceForge . net
Patches item #3399369, was opened at 2011-08-28 01:02 Message generated for change (Tracker Item Submitted) made by th9 You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428742aid=3399369group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-Bugs-3398102 ] crash generating inchi

2011-08-25 Thread SourceForge . net
Bugs item #3398102, was opened at 2011-08-25 14:22 Message generated for change (Tracker Item Submitted) made by reiling You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=428740aid=3398102group_id=40728 Please note that this message will contain a full copy of the

[OpenBabel-Devel] [ openbabel-File Format Support-3391762 ] Support KCF file input

2011-08-15 Thread SourceForge . net
File Format Support item #3391762, was opened at 2011-08-15 10:47 Message generated for change (Tracker Item Submitted) made by eladnoor You can respond by visiting: https://sourceforge.net/tracker/?func=detailatid=447448aid=3391762group_id=40728 Please note that this message will contain a full