Open Babel

openbabel:rinchi

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  2. lp:openbabel
  3. rinchi
Last commit made on 2017-08-31
Get this branch:
git clone -b rinchi https://git.launchpad.net/openbabel

Branch merges

Branch information

Name:
rinchi
Repository:
lp:openbabel

Recent commits

8502484... by baoilleach

Change OBReaction to support multiple agents instead of just one

ff08f56... by baoilleach

Initial code to implement rinchi. The Python segfaults as we can't read
rsmi.

646f579... by Geoff Hutchison <email address hidden>

Merge pull request #1593 from keipertk/master

Change silicon to correct MM3 atom type

cf8a221... by Kristopher Keipert <email address hidden>

Change silicon to correct MM3 atom type

9359f9e... by baoilleach

Merge pull request #1578 from afonari/patch-14

Parse _space_group_symop_operation_xyz in mmcif

f460d04... by baoilleach

Merge pull request #1586 from mwojcikowski/fix-msvc

Introduce std:isnan for older versions of MSVC

ac0fd29... by =?utf-8?q?Maciej_W=C3=B3jcikowski?= <email address hidden>

Merge pull request #1 from baoilleach/my_fix-msvc

Define OB_ISNAN to handle differences between MSVC versions

357bde1... by baoilleach

Define OB_ISNAN to handle differences between MSVC versions

829aa40... by Geoff Hutchison <email address hidden>

Merge pull request #1589 from baoilleach/smilesatomtypes

Improve performance of SMILES parser

360669b... by baoilleach

Merge pull request #1588 from barrymoo/prepend_to_ld_library_path

Prepend to LD_LIBRARY_PATH instead of overwrite