Greg Landrum 74069dc0a6 move the Labute ASA calculation into c++; expose crippen contributions to python. ...

This stuff has not yet been built on windows and the python side is not
yet ready to be checked in. This is a backup commit.

2007-10-13 09:31:23 +00:00

..

Build.VC71

get the c++ AtomPairs and torsion stuff working on windows. This builds under vc71, but still hasn't been set up under vc80.

2007-10-08 17:27:58 +00:00

Build.VC80

slowly moving towards making this work

2007-08-10 05:04:01 +00:00

Catalogs

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

ChemicalFeatures

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

DataManip/MetricMatrixCalc

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

DataStructs

GraphMol/Descriptors:

2007-10-11 16:49:55 +00:00

Demos

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

DistGeom

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

Features

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

ForceField

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

Geometry

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

GraphMol

move the Labute ASA calculation into c++; expose crippen contributions to python.

2007-10-13 09:31:23 +00:00

ML

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

Numerics

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

PgSQL/RDLib

fixes to get things working on linux using ChemTransforms

2006-09-23 05:32:47 +00:00

Query

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

RDBoost

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

RDGeneral

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

SimDivPickers

remove vestiges of old windows build system

2007-07-31 17:09:53 +00:00

doxygen.config

update for boost 1.34

2007-07-19 03:50:30 +00:00

Makefile

update for boost 1.34

2007-07-19 03:50:30 +00:00

notes.txt

initial import

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

rdrules.make

initial import

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

rdvars.make

update for boost 1.34

2007-07-19 03:50:30 +00:00

test_list.py

do not test the cartridge by default either

2006-12-06 18:37:24 +00:00