Noel O'Boyle c19f75c45f scripts/python/testpybel.py: Minor fix to enable failing test to pass. Failures due to the new MOL Chiral Flag data that I stored a while ago.

2012-10-01 20:40:36 +00:00

..

dalke_test.py

Add test Python script from Andrew Dalke.

2012-07-26 19:12:40 +00:00

energy.py

* scripts/python/examples/*.py: Added some force field examples. More

2008-04-30 00:01:40 +00:00

examples.py

Merged revisions 1918-1933 via svnmerge from

2007-04-13 18:44:10 +00:00

findcoverage.bat

* Set svn:eol-style to native for all text files.

2010-06-03 14:29:31 +00:00

hashizume.cif

* Merged in changes from 2.1.x branch.

2007-09-03 20:53:06 +00:00

head.sdf

Merged revisions 1918-1933 via svnmerge from

2007-04-13 18:44:10 +00:00

minSimple.py

* scripts/python/examples/*.py: Added some force field examples. More

2008-04-30 00:01:40 +00:00

testpybel.py

scripts/python/testpybel.py: Minor fix to enable failing test to pass. Failures due to the new MOL Chiral Flag data that I stored a while ago.

2012-10-01 20:40:36 +00:00

wgtRotorSrch.py

* scripts/python/examples/*.py: Added some force field examples. More

2008-04-30 00:01:40 +00:00