Open Babel

openbabel:rsmi_missing_comps

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Last commit made on 2017-10-09
Get this branch:
git clone -b rsmi_missing_comps https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
rsmi_missing_comps
Repository:
lp:openbabel

Recent commits

4a63491... by baoilleach

Merge branch 'rsmi_missing_comps' of https://github.com/baoilleach/openbabel into tmprsmi

02d1740... by Geoff Hutchison <email address hidden>

Revert "Add write support for agents in RXN format, and add tests for roundtrip."

This reverts commit 0a50a34e709a5247ff5381ff171415ab15bf082a.

00618bf... by Geoff Hutchison <email address hidden>

Revert "When reading RXN, add support for an optional agent"

This reverts commit 1edbd9e04039b4cdf1ed23d66cfb701b0ef179f7.

19a3c15... by baoilleach

Merge branch 'master' into rsmi_missing_comps

e632e9a... by Geoff Hutchison <email address hidden>

Merge pull request #1656 from nextmovesoftware/rxn_agents

Add support for agents to RXN file format

bc35f46... by Geoff Hutchison <email address hidden>

Merge pull request #1640 from baoilleach/moreagents

Allow multiple agents in OBReaction

b55fb08... by Geoff Hutchison <email address hidden>

Merge pull request #1653 from johnmay/patch/ecfp

ECFP Fixup

2a01417... by baoilleach

Merge pull request #1657 from theavey/master

Clarify python examples

5830d0c... by Thomas Heavey

clarified required use of OBMol object

While running the code as given originally would work, the re`import` of openbabel made it seem that the second and third examples would work independently when in fact they won't without defining `mol = openbabel.OBMol()`.

5f35b00... by baoilleach

Minor tweak to comment