On 5/8/2015 7:36 PM, vjp2...@at.biostrategist.dot.dot.com wrote:
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.
from org.RDKit import *
from java import lang
lang.System.loadLibrary('GraphMolWrap')
m = RWMol.MolFromSmiles('c1ccccc1')
m.getNumAtoms()


This does not do that but for those who don't know Jython it can help.

@echo off
set "x=thequickbrownfoxjumpsoverthelazydog"
set "x1=%x:~11,1%%x:~1,1%%x:~29,1%%x:~0,1%"
set "x2= %x:~32,2%%x:~2,1%%x:~20,1%"
set "x3= %x:~5,1%%x:~0,1% %x:~32,2%"
echo %x1%%x2%%x3%?
pause>nul

--
Todd Vargo
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