Greg Landrum f9f4fb5e7e Again, a collection of changes: ...

FingerprintMols.py: set this up so that it can be called without arguments
AlignDepict.py: doc updates
Torsions.py: support the IntVect datastruct used by Pairs.py
Pairs.py: fix a bug with the fpLen, error checking on fp sizes and returning BitVects
AllChem.py: import the reactions code, add convenience wrapper GenerateDepictionMatching3DStructure

2007-04-25 03:29:22 +00:00

..

Chem

Again, a collection of changes:

2007-04-25 03:29:22 +00:00

ClientCookie

initial import

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

DataManip

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

DataStructs

added

2007-04-18 19:26:08 +00:00

Dbase

- Partial implementation (due to lack of testing) of a sqlite interface

2007-02-22 04:43:30 +00:00

DistanceGeometry

initial import

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

Excel

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

ForceField

initial import

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

Geometry

initial import

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

Logger

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

mixins

initial import

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

ML

- Partial implementation (due to lack of testing) of a sqlite interface

2007-02-22 04:43:30 +00:00

Numerics

initial import

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

PySVD

initial import

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

qtGui

sync with repos r5237

2006-06-13 21:41:36 +00:00

RDToDo

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

Reports

initial import

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

SimDivFilters

minor design change

2006-09-22 03:39:10 +00:00

sping

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

utils

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

VLib

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

WebUtils

initial import

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

ClientForm.py

initial import

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

RDBuild.py

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

RDConfig.py

- Partial implementation (due to lack of testing) of a sqlite interface

2007-02-22 04:43:30 +00:00

RDLogger.py

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

RDRandom.py

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00

TestRunner.py

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +00:00