[Open Babel] removing dependency when compiling java bindings?

2013-04-08 Thread Nick Vandewiele
Hi I compiled the openbabel java bindings on "linux 64 bit" resulting in an libopenbabel_java.so file. I did this through cmake like this: cmake ../openbabel-2.3.2 -DJAVA_BINDINGS=ON -DCMAKE_INSTALL_PREFIX=/blabla/openbabel-install -DEIGEN3_INCLUDE_DIR=/blabla/eigen-eigen Next, I checked

[Open Babel] ranking SD files

2013-04-08 Thread Kareem Khoury
is it possible with Babel to re-order an sdf file based off of a data field I have an sdf file with a docking score data filed. i was looking at the --sort command but as far as i can tell it only sorts based off of descriptors. Thanks -Kareem ---

Re: [Open Babel] ranking SD files

2013-04-08 Thread Chris Morley
On 08/04/2013 15:14, Kareem Khoury wrote: > is it possible with Babel to re-order an sdf file based off of a data field > > I have an sdf file with a docking score data filed. > > i was looking at the --sort command but as far as i can tell it only > sorts based off of descriptors. You are right t