openbabel-devel

[OpenBabel-Devel] Error on compiling openbabel GUI of latest version

Wed, 07 May 2025 17:31:16 GMT

2025/05/07 -- Alexander Georg Maurer via OpenBabel-Devel

Re: [OpenBabel-Devel] Debugging tests

Thu, 22 Feb 2024 17:24:16 GMT

2024/02/22 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Debugging tests

Wed, 21 Feb 2024 21:08:21 GMT

2024/02/21 -- David van der Spoel

[OpenBabel-Devel] Debugging tests

Wed, 14 Feb 2024 20:35:54 GMT

2024/02/14 -- David van der Spoel

Re: [OpenBabel-Devel] hin-format upgrade

Sun, 24 Dec 2023 01:58:23 GMT

2023/12/24 -- Igor Leontyev via OpenBabel-Devel

Re: [OpenBabel-Devel] hin-format upgrade

Wed, 06 Dec 2023 07:47:56 GMT

2023/12/06 -- Yi-shu Tu

[OpenBabel-Devel] hin-format upgrade

Wed, 06 Dec 2023 05:18:29 GMT

2023/12/06 -- Igor Leontyev via OpenBabel-Devel

[OpenBabel-Devel] Open Babel website

Tue, 24 Oct 2023 20:58:59 GMT

2023/10/24 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups

Sun, 01 Aug 2021 17:52:50 GMT

2021/08/01 -- David van der Spoel

Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups

Tue, 27 Jul 2021 10:33:53 GMT

2021/07/27 -- David van der Spoel

Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups

Tue, 27 Jul 2021 08:40:12 GMT

2021/07/27 -- Noel O'Boyle

Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups

Tue, 27 Jul 2021 06:19:32 GMT

2021/07/27 -- David van der Spoel

Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups

Tue, 27 Jul 2021 05:52:23 GMT

2021/07/27 -- Noel O'Boyle

Re: [OpenBabel-Devel] Non-integer bond orders for resonant groups

Mon, 26 Jul 2021 20:28:08 GMT

2021/07/26 -- David Koes

[OpenBabel-Devel] Non-integer bond orders for resonant groups

Mon, 26 Jul 2021 09:56:06 GMT

2021/07/26 -- David van der Spoel

Re: [OpenBabel-Devel] charge for bond order perception

Fri, 11 Jun 2021 09:45:46 GMT

2021/06/11 -- David van der Spoel

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 17:18:34 GMT

2021/06/08 -- David Koes

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 15:51:03 GMT

2021/06/08 -- David van der Spoel

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 15:37:33 GMT

2021/06/08 -- David Koes

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 15:23:16 GMT

2021/06/08 -- David van der Spoel

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 14:14:49 GMT

2021/06/08 -- David Koes

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 13:07:48 GMT

2021/06/08 -- Ghahremanpour, Mohammad

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 12:50:29 GMT

2021/06/08 -- Marie-Madeleine Walz

Re: [OpenBabel-Devel] charge for bond order perception

Tue, 08 Jun 2021 12:15:44 GMT

2021/06/08 -- Marie-Madeleine Walz

Re: [OpenBabel-Devel] charge for bond order perception

Mon, 07 Jun 2021 13:50:27 GMT

2021/06/07 -- David Koes

Re: [OpenBabel-Devel] charge for bond order perception

Mon, 07 Jun 2021 12:23:15 GMT

2021/06/07 -- Marie-Madeleine Walz

Re: [OpenBabel-Devel] bondtyper.cpp

Fri, 04 Jun 2021 23:54:46 GMT

2021/06/04 -- Stefano Forli

Re: [OpenBabel-Devel] charge for bond order perception

Fri, 04 Jun 2021 23:42:53 GMT

2021/06/04 -- David Koes

Re: [OpenBabel-Devel] bondtyper.cpp

Fri, 04 Jun 2021 22:59:14 GMT

2021/06/04 -- David Koes

Re: [OpenBabel-Devel] charge for bond order perception

Thu, 03 Jun 2021 15:14:20 GMT

2021/06/03 -- Marie-Madeleine Walz

[OpenBabel-Devel] charge for bond order perception

Fri, 28 May 2021 09:41:36 GMT

2021/05/28 -- Marie-Madeleine Walz

Re: [OpenBabel-Devel] bondtyper.cpp

Sat, 15 May 2021 00:16:28 GMT

2021/05/15 -- Stefano Forli

Re: [OpenBabel-Devel] bondtyper.cpp

Thu, 13 May 2021 20:24:04 GMT

2021/05/13 -- Ghahremanpour, Mohammad

Re: [OpenBabel-Devel] bondtyper.cpp

Thu, 13 May 2021 20:01:24 GMT

2021/05/13 -- David van der Spoel

Re: [OpenBabel-Devel] bondtyper.cpp

Thu, 13 May 2021 19:52:52 GMT

2021/05/13 -- Ghahremanpour, Mohammad

Re: [OpenBabel-Devel] bondtyper.cpp

Thu, 13 May 2021 19:34:04 GMT

2021/05/13 -- David Koes

Re: [OpenBabel-Devel] bondtyper.cpp

Thu, 13 May 2021 19:09:07 GMT

2021/05/13 -- David van der Spoel

Re: [OpenBabel-Devel] bondtyper.cpp

Tue, 11 May 2021 21:34:54 GMT

2021/05/11 -- David Koes

[OpenBabel-Devel] bondtyper.cpp

Tue, 11 May 2021 18:52:01 GMT

2021/05/11 -- David van der Spoel

[OpenBabel-Devel] mmCIF element parsing bug

Tue, 12 Jan 2021 20:20:03 GMT

2021/01/12 -- Stefano Forli

[OpenBabel-Devel] Installing on MacOS

Mon, 28 Sep 2020 15:41:04 GMT

2020/09/28 -- David van der Spoel

[OpenBabel-Devel] Python bindings for 3.1.1

Sun, 17 May 2020 09:23:24 GMT

2020/05/17 -- Noel O'Boyle

[OpenBabel-Devel] Setting a security policy for Open Babel?

Thu, 07 May 2020 20:36:08 GMT

2020/05/07 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] script bindings / Use of EXTERN in headers

Fri, 01 May 2020 19:05:22 GMT

2020/05/01 -- David van der Spoel

[OpenBabel-Devel] script bindings / Use of EXTERN in headers

Fri, 01 May 2020 17:51:12 GMT

2020/05/01 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Last call for 3.0.1 release

Tue, 28 Apr 2020 12:13:10 GMT

2020/04/28 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Last call for 3.0.1 release

Tue, 28 Apr 2020 06:41:54 GMT

2020/04/28 -- Noel O'Boyle

[OpenBabel-Devel] Last call for 3.0.1 release

Mon, 27 Apr 2020 15:06:43 GMT

2020/04/27 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Migrating to GitHub build actions

Sat, 11 Apr 2020 13:36:26 GMT

2020/04/11 -- Noel O'Boyle

[OpenBabel-Devel] Migrating to GitHub build actions

Thu, 09 Apr 2020 23:53:26 GMT

2020/04/09 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Travis CI no longer running on PRs

Wed, 08 Apr 2020 20:25:21 GMT

2020/04/08 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Travis CI no longer running on PRs

Wed, 08 Apr 2020 16:02:25 GMT

2020/04/08 -- Noel O'Boyle

[OpenBabel-Devel] Travis CI no longer running on PRs

Wed, 08 Apr 2020 08:46:45 GMT

2020/04/08 -- Noel O'Boyle

[OpenBabel-Devel] Hardening Open Babel (i.e. fuzzing)

Fri, 03 Apr 2020 19:59:46 GMT

2020/04/03 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Fixing distance geometry stereo issue

Fri, 03 Apr 2020 17:20:08 GMT

2020/04/03 -- Tim Vandermeersch

Re: [OpenBabel-Devel] Fixing distance geometry stereo issue

Wed, 01 Apr 2020 15:59:23 GMT

2020/04/01 -- Geoffrey Hutchison

[OpenBabel-Devel] Fixing distance geometry stereo issue

Wed, 01 Apr 2020 07:37:39 GMT

2020/04/01 -- Tim Vandermeersch

Re: [OpenBabel-Devel] If someone had time on their hands (now) …

Thu, 26 Mar 2020 19:58:22 GMT

2020/03/26 -- Stefano Forli

[OpenBabel-Devel] If someone had time on their hands (now) …

Thu, 26 Mar 2020 18:17:21 GMT

2020/03/26 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Mixed compilation does not compile novel plugin

Wed, 04 Mar 2020 15:51:25 GMT

2020/03/04 -- Rodrigo Quiroga

Re: [OpenBabel-Devel] Mixed compilation does not compile novel plugin

Sat, 29 Feb 2020 05:42:41 GMT

2020/02/29 -- Geoffrey Hutchison

[OpenBabel-Devel] Mixed compilation does not compile novel plugin

Fri, 28 Feb 2020 21:28:46 GMT

2020/02/28 -- Rodrigo Quiroga

Re: [OpenBabel-Devel] Willing to contribute to Openbabel

Mon, 17 Feb 2020 20:35:13 GMT

2020/02/17 -- Noel O'Boyle

Re: [OpenBabel-Devel] Willing to contribute to Openbabel

Thu, 13 Feb 2020 14:16:14 GMT

2020/02/13 -- Naruki Yoshikawa

Re: [OpenBabel-Devel] Willing to contribute to Openbabel

Thu, 13 Feb 2020 01:56:45 GMT

2020/02/13 -- Geoffrey Hutchison

[OpenBabel-Devel] Willing to contribute to Openbabel

Wed, 12 Feb 2020 18:17:13 GMT

2020/02/12 -- Hashim Chaudhry

Re: [OpenBabel-Devel] Docs on handling of stereo

Tue, 11 Feb 2020 21:09:26 GMT

2020/02/11 -- Noel O'Boyle

Re: [OpenBabel-Devel] Docs on handling of stereo

Tue, 11 Feb 2020 19:55:29 GMT

2020/02/11 -- Noel O'Boyle

Re: [OpenBabel-Devel] Docs on handling of stereo

Tue, 11 Feb 2020 16:20:44 GMT

2020/02/11 -- Stefano Forli

Re: [OpenBabel-Devel] Docs on handling of stereo

Sun, 09 Feb 2020 20:37:54 GMT

2020/02/09 -- Noel O'Boyle

Re: [OpenBabel-Devel] Docs on handling of stereo

Thu, 06 Feb 2020 13:00:19 GMT

2020/02/06 -- Noel O'Boyle

Re: [OpenBabel-Devel] Docs on handling of stereo

Thu, 06 Feb 2020 07:16:55 GMT

2020/02/06 -- Stefano Forli

Re: [OpenBabel-Devel] Docs on handling of stereo

Wed, 05 Feb 2020 22:51:55 GMT

2020/02/05 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Problem with reading the Gaussian G4 calculations

Wed, 05 Feb 2020 22:44:40 GMT

2020/02/05 -- Geoffrey Hutchison

[OpenBabel-Devel] Problem with reading the Gaussian G4 calculations

Wed, 05 Feb 2020 21:56:20 GMT

2020/02/05 -- Mohammad Mehdi Ghahremanpour

[OpenBabel-Devel] Docs on handling of stereo

Wed, 05 Feb 2020 21:31:09 GMT

2020/02/05 -- Noel O'Boyle

Re: [OpenBabel-Devel] Why are there plugins?

Fri, 10 Jan 2020 08:58:26 GMT

2020/01/10 -- Noel O'Boyle

Re: [OpenBabel-Devel] Why are there plugins?

Wed, 08 Jan 2020 18:53:36 GMT

2020/01/08 -- Geoffrey Hutchison

Re: [OpenBabel-Devel] Why are there plugins?

Wed, 08 Jan 2020 14:48:18 GMT

2020/01/08 -- David van der Spoel

Re: [OpenBabel-Devel] Why are there plugins?

Wed, 08 Jan 2020 14:42:20 GMT

2020/01/08 -- Michael Banck

Re: [OpenBabel-Devel] Why are there plugins?

Wed, 08 Jan 2020 14:19:05 GMT

2020/01/08 -- Noel O'Boyle

[OpenBabel-Devel] Why are there plugins?

Wed, 08 Jan 2020 13:52:01 GMT

2020/01/08 -- David van der Spoel

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 13:20:32 GMT

2019/11/26 -- Noel O'Boyle

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 13:13:14 GMT

2019/11/26 -- David van der Spoel

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 12:59:44 GMT

2019/11/26 -- Noel O'Boyle

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 12:13:19 GMT

2019/11/26 -- David van der Spoel

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 12:07:12 GMT

2019/11/26 -- Noel O'Boyle

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 09:51:29 GMT

2019/11/26 -- David van der Spoel

Re: [OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 09:14:09 GMT

2019/11/26 -- Noel O'Boyle

[OpenBabel-Devel] Hydrogen management bug

Tue, 26 Nov 2019 06:50:42 GMT

2019/11/26 -- David van der Spoel

Re: [OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found

Sun, 24 Nov 2019 19:48:36 GMT

2019/11/24 -- Mohammad Ghahremanpour

Re: [OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found

Sun, 24 Nov 2019 18:36:03 GMT

2019/11/24 -- Geoffrey Hutchison

[OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found

Sun, 24 Nov 2019 16:21:53 GMT

2019/11/24 -- Mohammad Ghahremanpour

[OpenBabel-Devel] cmake configuration

Fri, 15 Nov 2019 01:12:05 GMT

2019/11/15 -- Koes, David

Re: [OpenBabel-Devel] [AMBER] PDB CONECT issues with OpenBabel 3.0 and antechamber from Elvis Martis on 2019-10-10 (Amber Archive Oct 2019)

Sat, 02 Nov 2019 13:31:04 GMT

2019/11/02 -- Koes, David

Re: [OpenBabel-Devel] [AMBER] PDB CONECT issues with OpenBabel 3.0 and antechamber from Elvis Martis on 2019-10-10 (Amber Archive Oct 2019)

Sat, 02 Nov 2019 08:35:36 GMT

2019/11/02 -- Noel O'Boyle

[OpenBabel-Devel] FindForceField returns nullptr

Thu, 31 Oct 2019 23:13:52 GMT

2019/10/31 -- David van der Spoel

Re: [OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released

Thu, 24 Oct 2019 21:14:15 GMT

2019/10/24 -- Maciek Wójcikowski

Re: [OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released

Thu, 24 Oct 2019 19:40:37 GMT

2019/10/24 -- Noel O'Boyle

[OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released

Thu, 24 Oct 2019 15:59:14 GMT

2019/10/24 -- Geoffrey Hutchison