rdkit

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ptosco ec8eb5a1bf - Changed all occurrences of RDKit::PI into M_PI

- added #ifdef M_PI (...) #endif in all relevant places
- made length() and sqLength() method consistent
  with respect to usage of pow(x, 2) vs x*x in
  Code/Geometry/point.h
- removed gzip-related boost.iostreams dependency and
  replaced with portable "cmake -E tar xzf" command
  in Code/ForceField/MMFF/CMakeLists.txt

2013-09-20 17:45:41 +02:00

Code

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

Contrib

update docs

2013-08-14 12:23:00 +02:00

Data

more issue252: sync the parameter text file with the C++ file

2012-09-26 04:11:14 +00:00

Docs

update dev tags for new version

2013-07-28 17:30:08 +02:00

External

Fixed inconsistent versions in InChI parts, documentation was refering

2013-09-09 18:33:58 +01:00

Projects

fix a bug with negation of the queries

2010-11-16 05:26:27 +00:00

rdkit

Merge branch 'ptosco-MMFF' of https://github.com/rdkit/rdkit into ptosco-MMFF

2013-09-19 05:22:20 +02:00

Regress

update cartridge benchmarking script

2012-10-07 04:38:27 +00:00

Scripts

we're going to call the package rdkit, not pyRDKit

2009-01-26 20:08:53 +00:00

Web/RDExtras

initial import

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

CMakeLists.txt

- Changed all occurrences of RDKit::PI into M_PI

2013-09-20 17:45:41 +02:00

INSTALL

docs update

2013-07-05 04:55:38 +02:00

license.txt

docs update

2013-07-05 04:55:38 +02:00

rdkit-config-version.cmake.in

merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

2011-08-07 16:34:42 +00:00

rdkit-config.cmake.in

merge in Riccardo Vianello's changes to make it easier to build c++ programs using the RDKit with cmake

2011-08-07 16:34:42 +00:00

README

docs update

2013-07-05 04:55:38 +02:00

ReleaseNotes.txt

prepare for release

2013-07-28 07:20:02 +02:00

setup.py

version bump

2009-03-17 05:17:36 +00:00

README

Instructions for building the RDKit can be found in the file 
Docs/Book/Install.rst.

The online version of the documentation is available here:
http://www.rdkit.org/docs/index.html

Some information about using the software from Python is in the
"Getting Started in Python" document in Docs/Book

If you have questions or suggestions, please subscribe to the
rdkit-discuss mailing list: 
http://lists.sourceforge.net/mailman/listinfo/rdkit-discuss

Please see the file license.txt for details about the "New BSD"
license which covers this software and its associated data and
documents. 

# $Id$
# Copyright (C) 2008-2013 Greg Landrum

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