openbabel-discuss@lists.sourceforge.net

0

replies

[Open Babel] NSIS installation error

started 2017-07-22 20:06:38 UTC

2017-07-22 20:06:38 UTC

Walid El-Sharoud

2

replies

[Open Babel] modify molecules through internal coordinates

started 2017-07-18 18:29:40 UTC

2017-07-22 00:54:27 UTC

Xianghai Sheng

0

replies

[Open Babel] Put atoms of target molecule in same order as reference

started 2017-07-22 00:50:27 UTC

2017-07-22 00:50:27 UTC

CodyA

0

replies

[Open Babel] NSIS Error

started 2017-07-21 07:10:53 UTC

2017-07-21 07:10:53 UTC

Walid El-Sharoud

1

reply

[Open Babel] Website down?

started 2017-07-18 18:29:40 UTC

2017-07-18 21:23:22 UTC

Geoffrey Hutchison

1

reply

[Open Babel] Pybel: smi is not a recognised Open Babel format

started 2017-07-18 01:14:51 UTC

2017-07-18 01:36:21 UTC

Oliver Stueker

0

replies

[Open Babel] Encoding error: python-openbabel/pybel

started 2017-07-14 03:34:04 UTC

2017-07-14 03:34:04 UTC

Keiron O'Shea [keo7]

0

replies

[Open Babel] Can I get force field gradient using openbabel or pybel?

started 2017-07-13 11:23:02 UTC

2017-07-13 11:23:02 UTC

xh s

0

replies

[Open Babel] Error when doing SDF -> XYZ -> SDF

started 2017-07-06 12:27:54 UTC

2017-07-06 12:27:54 UTC

laetis69003

3

replies

[Open Babel] OpenSMARTS specification (?)

started 2017-06-30 13:45:09 UTC

2017-07-04 23:46:45 UTC

Craig James

0

replies

[Open Babel] Babel on Extreme Systems

started 2017-06-29 17:28:49 UTC

2017-06-29 17:28:49 UTC

Noel O'Boyle

0

replies

[Open Babel] isotopes in graphic formats

started 2017-06-29 01:08:22 UTC

2017-06-29 01:08:22 UTC

chubukov

0

replies

[Open Babel] FP2 count of fragments

started 2017-06-21 21:55:00 UTC

2017-06-21 21:55:00 UTC

b***@lehigh.edu

1

reply

[Open Babel] Finding the largest induced subfragment

started 2017-06-21 04:14:27 UTC

2017-06-21 05:55:05 UTC

Andrew Dalke

10

replies

[Open Babel] Submolecule from OBMol

started 2017-06-18 01:44:20 UTC

2017-06-19 20:54:01 UTC

Geoffrey Hutchison

1

reply

[Open Babel] Problems installing OpenBabel

started 2017-06-16 20:50:43 UTC

2017-06-18 21:54:05 UTC

Fredrik Wallner

1

reply

[Open Babel] Is it possible to support numpy arrays in the python module?

started 2017-06-16 17:26:13 UTC

2017-06-16 17:59:28 UTC

Noel O'Boyle

2

replies

[Open Babel] Adding Hydrogens

started 2017-06-14 08:46:01 UTC

2017-06-14 18:20:26 UTC

Geoffrey Hutchison

2

replies

[Open Babel] install error

started 2017-06-10 00:45:12 UTC

2017-06-12 22:29:02 UTC

Noel O'Boyle

5

replies

[Open Babel] InChI Question

started 2017-06-09 00:07:52 UTC

2017-06-12 17:05:27 UTC

Noel O'Boyle

2

replies

[Open Babel] removing salts changes the structure and add bonds to heterocyclic compounds with nitrogen...

started 2017-06-05 17:29:52 UTC

2017-06-09 17:20:08 UTC

Noel O'Boyle

5

replies

[Open Babel] how to use CMAKE_PREFIX_PATH with openbabel

started 2017-06-07 13:22:54 UTC

2017-06-07 21:44:38 UTC

Davide Olianas

2

replies

[Open Babel] Errors with compiling open babel

started 2017-06-06 21:00:13 UTC

2017-06-06 22:41:19 UTC

Fredrik Wallner

0

replies

[Open Babel] Modify a forcefield

started 2017-06-02 23:26:57 UTC

2017-06-02 23:26:57 UTC

xh s

5

replies

[Open Babel] Canonical SMILES with disconnected parts

started 2017-05-27 04:49:58 UTC

2017-06-01 11:19:28 UTC

Noel O'Boyle

3

replies

[Open Babel] Error when using compound.draw() in pybel installed by conda - PNG depiction support not found.

started 2017-05-31 14:06:16 UTC

2017-05-31 18:00:02 UTC

Maciek Wójcikowski

8

replies

[Open Babel] (no subject)

started 2017-05-22 22:56:51 UTC

2017-05-23 23:06:47 UTC

Dimitri Maziuk

1

reply

[Open Babel] MM3 atom typing

started 2017-05-19 17:44:58 UTC

2017-05-19 18:02:35 UTC

Noel O'Boyle

11

replies

[Open Babel] Cannot use readstring() or readfile()

started 2017-03-06 01:22:54 UTC

2017-05-18 18:37:12 UTC

Noel O'Boyle

0

replies

[Open Babel] Generate low energy 3D conformer with python

started 2017-05-14 21:20:47 UTC

2017-05-14 21:20:47 UTC

phuongdo