Riccardo Vianello c19ebb9c56 don't use a ctab as input for the computation of 2D coordinates (#2255) ...

* don't use a ctab as input for the computation of 2D coordinates

Fix GitHub issue 1062.

* make sure that the output 2D coordinates are ordered correctly

2019-02-25 12:39:01 -05:00

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AvalonTools

don't use a ctab as input for the computation of 2D coordinates (#2255)

2019-02-25 12:39:01 -05:00

catch

switch the catch2 handling to a normal download (#2127)

2018-10-22 04:22:36 +02:00

CoordGen

Update build rules for coorgen & maeparser (#2184)

2019-01-06 06:28:00 +00:00

FreeSASA

Fix (most of) mem problems (#2123)

2018-10-29 14:33:26 +00:00

INCHI-API

Allow converting mol blocks directly to InChI (#2262)

2019-02-13 09:43:02 -05:00

pymol/modules/pymol

Replace has_key use in Python (#issue1042) (#1132)

2016-10-29 04:41:57 +02:00

CMakeLists.txt

Integrate Coordgen (#1708)

2018-02-15 05:36:03 +01:00