Open Babel

openbabel:radicals

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  2. lp:openbabel
  3. radicals
Last commit made on 2017-08-14
Get this branch:
git clone -b radicals https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
radicals
Repository:
lp:openbabel

Recent commits

c76269e... by baoilleach

Remove not-longer-needed comment, and some blank lines.

4199ee2... by baoilleach

Update depiction to handle drawing radical dots based on the spin setting, or (if
spin is zero) degree of undervalence. Note that only one or two dots are drawn.

9b473d3... by baoilleach

Set the valence field if setting M RAD to make sure that the number of hydrogens is read correctly

133dc32... by baoilleach

Minor fix to get radical test passing again

c04f53b... by baoilleach

Merge branch 'master' into radicals

1517ddb... by Geoff Hutchison <email address hidden>

Merge pull request #1610 from baoilleach/fix_slow_molfile_writing

Fix underflow causing a noticeable delay when e.g. writing a molfile

4931b9a... by Geoff Hutchison <email address hidden>

Merge pull request #1601 from baoilleach/elements

Improve performance of element handling

4f47382... by baoilleach

Merge pull request #1609 from baoilleach/implicitH_tweak

Tweak the handling of implicit Hs when reading SMILES

e340414... by baoilleach

Fix underflow causing a noticeable delay when writing a MOL file with a single atom.

3c8bc42... by baoilleach

Merge