Greg Landrum abd1071ffb fix sf.net issue 1950302: typos in crippen parameter file ...

This required some changes to the "expected results" files.
Hopefully I got everything

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

..

Wrap

Fixes for sf.net bugs 1942657 : square brackets in smiles allow invalid valences

2008-04-17 05:09:02 +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

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

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

2008-05-06 05:58:43 +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

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

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