diff --git a/Docs/Book/GettingStartedInPython.odt b/Docs/Book/GettingStartedInPython.odt index 8771ce7f4..d83c03f82 100755 Binary files a/Docs/Book/GettingStartedInPython.odt and b/Docs/Book/GettingStartedInPython.odt differ diff --git a/Docs/Book/GettingStartedInPython.pdf b/Docs/Book/GettingStartedInPython.pdf index 50fb3351a..f1078a70c 100644 Binary files a/Docs/Book/GettingStartedInPython.pdf and b/Docs/Book/GettingStartedInPython.pdf differ diff --git a/Docs/SoftwareRequirements.txt b/Docs/SoftwareRequirements.txt index ad2f18fbf..a35f2efed 100755 --- a/Docs/SoftwareRequirements.txt +++ b/Docs/SoftwareRequirements.txt @@ -40,7 +40,7 @@ B. Optional Python: C. Other required stuff - 1) The boost shared libraries v1.33 or later (tested with 1.33-1.36) + 1) The boost shared libraries v1.33 or later (tested with 1.33-1.38) 2) PostgreSQL (only if you're using pyPgSQL) diff --git a/INSTALL b/INSTALL index 23e42217d..6a17a6a65 100644 --- a/INSTALL +++ b/INSTALL @@ -46,7 +46,7 @@ The instructions below are for source distributions from Q1 2009 on. * create the databases used by the Python tests, requires sqlite3 to be installed: ** `sqlite3 $RDBASE/Data/RDTests.sqlt < $RDBASE/rdkit/Dbase/testData/RDTests.sqlite` ** `sqlite3 $RDBASE/Data/RDData.sqlt < $RDBASE/rdkit/Dbase/testData/RDData.sqlite` - * cd to $RDBASE/Python and do: `python $RDBASE/rdkit/TestRunner.py test_list.py` + * cd to $RDBASE/rdkit and do: `python $RDBASE/rdkit/TestRunner.py test_list.py` * cd to $RDBASE/Projects and do: `python $RDBASE/rdkit/TestRunner.py test_list.py` diff --git a/ReleaseNotes.txt b/ReleaseNotes.txt index f4905f57c..18ed32dbd 100755 --- a/ReleaseNotes.txt +++ b/ReleaseNotes.txt @@ -25,10 +25,16 @@ Bug Fixes - Incorrect handling of atoms with explicit Hs in reactions (issue 2540021) - SmilesMolSupplier.GetItemText() crashes (issue 2632960) - Incorrect handling of dot separations in reaction SMARTS (issue 2690530) + - Bad charge lines in mol blocks for large molecules (issue 2692246) + - Order dependence in the 2D pharmacophore code New Features - BRICS implementation - Morgan/circular fingerprints implementation + - The 2D pharmacophore code now uses standard RDKit fdef files. + - Atom parity information in CTABs now written and read. If present + on reading, atom parity flags are stored in the atomic property + "molParity". Other - For C++ programmers: The ROMol methods getAtomPMap() and