Re: [Open Babel] 2.3.2 release: make test errors (isomorphism, rotor, pytest).

2016-08-05 Thread Noel O'Boyle
Try the latest development code. It contains 3 years of improvements and fixes. On 4 August 2016 at 14:21, lester sigauke wrote: > Hie there, > > Were you able to sort that problem out. I am having the exact same problem. > > > > -- > View this message in context: > http://forums.openbabel.org/2

Re: [Open Babel] 2.3.2 release: make test errors (isomorphism, rotor, pytest).

2016-08-05 Thread lester sigauke
Hie there, Were you able to sort that problem out. I am having the exact same problem. -- View this message in context: http://forums.openbabel.org/2-3-2-release-make-test-errors-isomorphism-rotor-pytest-tp4655894p4659416.html Sent from the General discussion mailing list archive at Nabble.c

Re: [Open Babel] 2.3.2

2013-02-12 Thread Chris Morley
hris Morley mailto:c.mor...@gaseq.co.uk>> >> Subject: Re: [Open Babel] 2.3.2 >> To:openbabel-discuss@lists.sourceforge.net >> <mailto:openbabel-discuss@lists.sourceforge.net> >> Message-ID: <5117f7c5.9000...@gaseq.co.uk <http://gaseq.co.uk/>> >> Conte

Re: [Open Babel] 2.3.2

2013-02-12 Thread Chris Swain
On 12 Feb 2013, at 07:32, openbabel-discuss-requ...@lists.sourceforge.net wrote: > Message: 3 > Date: Sun, 10 Feb 2013 19:40:53 + > From: Chris Morley > Subject: Re: [Open Babel] 2.3.2 > To: openbabel-discuss@lists.sourceforge.net > Message-ID: <5117f7c5.9000...@gaseq.

Re: [Open Babel] 2.3.2

2013-02-12 Thread Chris Swain
Hi, Thanks for this. As an aside, should I move away from using obgrep in the future? Cheers Chris On 12 Feb 2013, at 07:32, openbabel-discuss-requ...@lists.sourceforge.net wrote: > Message: 3 > Date: Sun, 10 Feb 2013 19:40:53 + > From: Chris Morley > Subject: Re: [Open Babel

Re: [Open Babel] 2.3.2

2013-02-10 Thread Chris Morley
On 09/02/2013 20:04, Chris Swain wrote: > Hi > My main machine has OpenBabel 2.3.1 installed and this command works fine. > > ChrisMacbookPro:~ swain$ /usr/local/bin/obgrep -v -c "" > /Users/swain/Desktop/ChemicalStructures/acetophenones.sdf > 665 > The number being the number of molecules in

[Open Babel] 2.3.2

2013-02-09 Thread Chris Swain
Hi My main machine has OpenBabel 2.3.1 installed and this command works fine. ChrisMacbookPro:~ swain$ /usr/local/bin/obgrep -v -c "" /Users/swain/Desktop/ChemicalStructures/acetophenones.sdf 665 The number being the number of molecules in the sdf file. I've been playing around with OpenBa

[Open Babel] 2.3.2 release: make test errors (isomorphism, rotor, pytest).

2013-01-22 Thread David García Aristegui
make test output for 2.3.2 release: 95% tests passed, 3 tests failed out of 57 Total Test time (real) = 38.29 sec The following tests FAILED: 9 - isomorphism_Test (Failed) 10 - rotor_Test (Failed) 54 - pytest_sym (Failed) Errors while running CTest make: *** [test] E