Greg Landrum 79b8a77f93 get rid of those irritating POSIX_C_SOURCE warnings

2008-07-08 06:59:59 +00:00

..

Wrap

get rid of those irritating POSIX_C_SOURCE warnings

2008-07-08 06:59:59 +00:00

AtomPairs.cpp

merge in the changes from the 64 bit port branch r703:717

2008-06-11 05:01:17 +00:00

AtomPairs.h

merge in the changes from the 64 bit port branch r703:717

2008-06-11 05:01:17 +00:00

Crippen.cpp

fix sf.net issue 1950302: typos in crippen parameter file

2008-05-06 05:58:43 +00:00

Crippen.h

fix sf.net issue 1950302: typos in crippen parameter file

2008-05-06 05:58:43 +00:00

Jamfile

get things building on windows.

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

MolDescriptors.cpp

include all Hs, not just implicit ones in the molwt

2008-05-30 14:54:44 +00:00

MolDescriptors.h

include all Hs, not just implicit ones in the molwt

2008-05-30 14:54:44 +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 in the changes from the 64 bit port branch r703:717

2008-06-11 05:01:17 +00:00