Greg Landrum 3520c441cb add allBondsExplicit argument for SMILES writing

2012-03-26 03:12:37 +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

merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

2011-08-07 16:34:42 +00:00

DataManip

remove exe property from source files

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

DataStructs

add another test

2012-01-10 04:08:58 +00:00

Demos

added

2011-08-15 03:38:32 +00:00

DistGeom

remove the bjam-based build system

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

doxygen

updating c++ docs

2012-01-07 14:43:59 +00:00

Features

update copyright statements

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

ForceField

another update

2012-02-25 16:27:54 +00:00

Geometry

add signed dihedral calculation. Add dihedral calculation to python interface

2012-03-11 05:21:09 +00:00

GraphMol

add allBondsExplicit argument for SMILES writing

2012-03-26 03:12:37 +00:00

JavaWrappers

merge in latest trunk

2012-03-03 07:24:09 +00:00

ML

merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

2011-08-07 16:34:42 +00:00

Numerics

another update

2012-02-25 16:27:54 +00:00

PgSQL

add patch from Gianluca Sforna to get things building using ubuntu-based postgresql distribs

2012-03-17 05:23:35 +00:00

Query

cleanup

2012-03-22 04:23:17 +00:00

RDBoost

refactor a bit to make this more logical

2012-03-26 03:08:02 +00:00

RDGeneral

versions.h does not need to be in svn anymore

2011-10-28 05:27:36 +00:00

SimDivPickers

docstring cleanup

2012-01-07 15:10:42 +00:00

CMakeLists.txt

minor updates

2012-01-03 07:50:53 +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