Paolo Tosco d75d3e6b1c - update AvalonTools to version 2.0.4a (#5796) ...

- update config files in Data to the same version as in AvalonTools
- fix a bug in AvalonTools.cpp causing the last character of the optString bassed to initCheckMol() to be deleted
- add a test to confirm the bug is fixed

Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>

2022-12-01 16:48:09 +01:00

..

DTDs

Unset executable flag (#2833)

2019-12-19 08:29:32 +01:00

Fonts

Add ACS1996 drawing style (#5425)

2022-07-21 18:11:33 +02:00

NCI

Unset executable flag

2019-10-10 20:18:43 +09:00

Pains

Patch/pains updates (#2272)

2019-03-18 13:42:31 -04:00

SmartsLib

Fix typo: quarternary --> quaternary (#5243)

2022-04-29 08:09:34 +02:00

struchk

- update AvalonTools to version 2.0.4a (#5796)

2022-12-01 16:48:09 +01:00

BaseFeatures.fdef

er, forgot to save the documentation first

2008-05-14 20:22:44 +00:00

Crippen.txt

Unset executable flag

2019-10-10 20:18:43 +09:00

FragmentDescriptors.csv

Fix typo: quarternary --> quaternary (#5243)

2022-04-29 08:09:34 +02:00

Functional_Group_Hierarchy.txt

Fixes Amine.Tertiary.Aromatic definition (#3883)

2021-03-05 10:27:57 +01:00

FunctionalGroups.txt

Unset executable flag

2019-10-10 20:18:43 +09:00

rddata.sql

Unset executable flag

2019-10-10 20:18:43 +09:00

RDData.sqlt

Unset executable flag

2019-10-10 20:18:43 +09:00

RDTests.sqlt

Unset executable flag

2019-10-10 20:18:43 +09:00

Salts.txt

add salt remover and functional gropu hierarchy

2010-12-15 05:21:40 +00:00