openbabel-devel@lists.sourceforge.net

12

replies

pull request for an old patch

started 2017-07-07 18:05:10 UTC

2017-07-07 20:27:10 UTC

Mohammad Mehdi Ghahremanpour

1

reply

Isotope table

started 2017-07-06 22:16:49 UTC

2017-07-07 18:53:28 UTC

Geoffrey Hutchison

1

reply

JSON parsing of elements

started 2017-06-29 12:41:30 UTC

2017-07-04 01:02:43 UTC

Noel O'Boyle

1

reply

Output of charge to sdf file or inchi

started 2017-06-26 00:45:27 UTC

2017-06-30 23:53:12 UTC

Geoffrey Hutchison

1

reply

Reading molecular coordinates in standard orientation

started 2017-06-20 21:32:05 UTC

2017-06-21 10:59:51 UTC

David van der Spoel

0

replies

Explicit "implicit hydrogen" count and kekulisation now merged

started 2017-06-13 12:06:55 UTC

2017-06-13 12:06:55 UTC

Noel O'Boyle

10

replies

Appveyor tests

started 2017-06-05 22:17:16 UTC

2017-06-12 19:36:06 UTC

Maciek Wójcikowski

1

reply

how to minimize molecular structure energy by AM1 forcefield

started 2017-05-24 17:09:08 UTC

2017-05-26 16:22:33 UTC

Noel O'Boyle

1

reply

Pybel and pip install problems

started 2017-05-18 18:49:35 UTC

2017-05-18 20:24:04 UTC

Geoffrey Hutchison

2

replies

FYI, Implicit hydrogens and kekulization branch

started 2017-04-14 15:22:50 UTC

2017-05-13 20:53:10 UTC

Geoffrey Hutchison

4

replies

GSoC project introduction - C.C. web repository

started 2017-05-08 18:06:50 UTC

2017-05-11 12:41:26 UTC

Noel O'Boyle

0

replies

BEP: Proposal for removal of Kekule and Aromatic Bond Orders

started 2017-04-05 14:25:00 UTC

2017-04-05 14:25:00 UTC

Noel O'Boyle

0

replies

Moving trackers from SF to GitHub

started 2017-03-24 19:11:59 UTC

2017-03-24 19:11:59 UTC

Noel O'Boyle

1

reply

API/ABI changes review for OpenBabel

started 2017-03-20 11:57:53 UTC

2017-03-20 14:31:04 UTC

Noel O'Boyle

3

replies

Mailing list change proposal

started 2017-03-16 13:22:50 UTC

2017-03-17 22:40:59 UTC

Geoffrey Hutchison

12

replies

Convenience functions

started 2017-02-25 15:33:37 UTC

2017-03-07 01:31:34 UTC

Stefano Forli

6

replies

Change to SMILES writer for hypervalent atoms

started 2017-03-03 00:11:24 UTC

2017-03-06 20:22:15 UTC

Noel O'Boyle

3

replies

Proposal to overhaul/replace OBElementTable

started 2017-02-25 13:45:31 UTC

2017-02-26 13:52:32 UTC

Noel O'Boyle

0

replies

Proposal to remove all duplicated std::string versus const char* methods

started 2017-02-23 21:19:43 UTC

2017-02-23 21:19:43 UTC

Noel O'Boyle

1

reply

Migrating bugs, features from SourceForge to GitHub

started 2017-02-22 02:35:25 UTC

2017-02-22 02:41:02 UTC

Noel O'Boyle

14

replies

Race conditions

started 2017-02-07 16:20:17 UTC

2017-02-22 02:14:13 UTC

Noel O'Boyle

0

replies

OBMol ctor error on OBDotNet

started 2017-02-17 06:07:58 UTC

2017-02-17 06:07:58 UTC

JohniMichels

7

replies

Replacement of aromatic.txt SMARTS patterns with switch statement

started 2017-01-27 14:03:21 UTC

2017-02-12 20:51:19 UTC

Noel O'Boyle

0

replies

How to get the list of integers from an ECFP4 fingerprint?

started 2017-02-08 21:02:25 UTC

2017-02-08 21:02:25 UTC

Francois BERENGER

11

replies

FASTA File

started 2016-11-12 02:43:07 UTC

2017-01-24 23:10:33 UTC

Geoffrey Hutchison

1

reply

Compiling OpenBabel with gcc and g++

started 2017-01-19 20:42:42 UTC

2017-01-19 21:16:34 UTC

Noel O'Boyle

0

replies

Question about openbabel ECFP fingerprint

started 2016-10-31 22:05:42 UTC

2016-10-31 22:05:42 UTC

Geoffrey Hutchison

2

replies

2.4.1

started 2016-10-10 21:04:44 UTC

2016-10-11 15:22:12 UTC

Maciek Wójcikowski

14

replies

OB API/ABI changes

started 2016-05-23 02:00:30 UTC

2016-10-10 05:37:28 UTC

Geoffrey Hutchison

0

replies

Fwd: InChI Software version 1.05

started 2016-10-06 15:29:46 UTC

2016-10-06 15:29:46 UTC

Noel O'Boyle