Greg Landrum c757ea64b6 add support for replacements in smiles and smarts. ...

remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked)
remove useless wrapper file (SmilesParseOps.i).

2011-07-07 05:45:31 +00:00

..

Catalogs

remove exe property from source files

2011-01-13 04:22:56 +00:00

ChemicalFeatures

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

cmake/Modules

start adding support for cpack; update copyright in license.txt

2011-05-09 03:39:40 +00:00

DataManip

remove exe property from source files

2011-01-13 04:22:56 +00:00

DataStructs

further clang cleanups

2011-05-27 03:29:56 +00:00

Demos

add isotope info to depictions

2011-07-01 03:52:01 +00:00

DistGeom

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

Features

update copyright statements

2010-09-26 17:04:37 +00:00

ForceField

clean up some compiler warnings from clang

2011-05-26 02:36:23 +00:00

Geometry

initial support for clang

2011-05-25 19:40:31 +00:00

GraphMol

fix and test sf.net issue 3349243

2011-07-02 04:25:59 +00:00

JavaWrappers

add support for replacements in smiles and smarts.

2011-07-07 05:45:31 +00:00

ML

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

Numerics

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

PgSQL

add inchi support to cartridge

2011-07-02 05:29:43 +00:00

Query

initial support for clang

2011-05-25 19:40:31 +00:00

RDBoost

clean up some compiler warnings from clang

2011-05-26 02:36:23 +00:00

RDGeneral

sync with trunk. add inchi support to java wrapper.

2011-06-29 04:42:05 +00:00

SimDivPickers

remove the bjam-based build system

2010-09-27 03:54:07 +00:00

CMakeLists.txt

add initial version of new swig wrappers

2011-04-07 05:22:00 +00:00

doxygen.config

(re)organize some of the documentation

2008-07-14 03:53:20 +00:00

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

get geometry tests working on mac and include them in the default build

2009-10-02 10:12:46 +00:00