v***@at.BioStrategist.dot.dot.com
2015-05-08 23:36:12 UTC
How do I do this in a .bat file?
Do I include the Jython or pipe it?
% CLASSPATH=$CLASSPATH:$RDBASE/Code/JavaWrappers/gmwrapper/org.RDKit.jar; jython
-Djava.library.path=$RDBASE/Code/JavaWrappers/gmwrapper
Jython 2.2.1 on java1.6.0_20
Type "copyright", "credits" or "license" for more information.
Do I include the Jython or pipe it?
% CLASSPATH=$CLASSPATH:$RDBASE/Code/JavaWrappers/gmwrapper/org.RDKit.jar; jython
-Djava.library.path=$RDBASE/Code/JavaWrappers/gmwrapper
Jython 2.2.1 on java1.6.0_20
Type "copyright", "credits" or "license" for more information.
from org.RDKit import *
from java import lang
lang.System.loadLibrary('GraphMolWrap')
m = RWMol.MolFromSmiles('c1ccccc1')
m.getNumAtoms()
from java import lang
lang.System.loadLibrary('GraphMolWrap')
m = RWMol.MolFromSmiles('c1ccccc1')
m.getNumAtoms()