Matt Swain 97f6783f80 Fix ConformerParser to use const std::string & ...

In #627, `readAmberTrajectory` in ConformerParser.h is updated to use `const std::string &`. This updates the corresponding method in ConformerParser.cpp to match. I needed to do this to compile RDKit with contrib.

2016-01-19 14:06:45 +00:00

..

ConformerParser

Fix ConformerParser to use const std::string &

2016-01-19 14:06:45 +00:00

fraggle

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

LEF

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

M_Kossner

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

mmpa

merge mmpa branch

2015-10-30 04:45:58 +01:00

NP_Score

Python3 compatibility fix for NPScore

2015-11-27 15:36:35 +01:00

PBF

first-pass python implementation of this

2015-12-02 17:43:24 +01:00

pzc

removed bare except but did not test because I don't have the 'requests' library

2015-09-07 13:08:07 +02:00

SA_Score

move SA_scorer over to using the C++ defns

2015-09-21 13:50:55 +02:00

CMakeLists.txt

option to build Contrib with RDKit added

2014-04-08 09:38:45 +02:00