Greg Landrum 8424d36830 get things building on windows.

2008-04-08 18:24:56 +00:00

..

Wrap

doc update

2007-11-30 05:15:38 +00:00

AtomPairs.cpp

this caused problems sometimes on windoes

2007-10-10 05:48:30 +00:00

AtomPairs.h

doc updates and some minor formatting changes

2007-10-24 16:37:37 +00:00

Crippen.cpp

handle missing paramters correctly

2007-10-14 06:40:45 +00:00

Crippen.h

doc updates and some minor formatting changes

2007-10-24 16:37:37 +00:00

Jamfile

get things building on windows.

2008-04-08 18:24:56 +00:00

MolDescriptors.cpp

cleanup and documentation changes

2007-11-14 06:09:52 +00:00

MolDescriptors.h

cleanup and documentation changes

2007-11-14 06:09:52 +00:00

MolSurf.cpp

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

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

MolSurf.h

doc updates and some minor formatting changes

2007-10-24 16:37:37 +00:00

test_list.py

initial import

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

test.cpp

merge changes from QuerySerialization_6March2008 branch, revs 555:563, into the trunk;

2008-03-12 06:11:39 +00:00