Running the custom MolComparator examples:

  1. Unzip CustomMolComparators.zip to a sibling library of jchem (e.g. if your jchem library's path is C:\Program Files\jchem then you may create the library C:\Program Files\emc and copy the files into it)

  2. At command prompt change to the emc directory (C:\Program Files\emc)

  3. Run the examples:

	C:\Program Files\emc> java -classpath ".;../jchem" ExampleForMolComparators

  4. You should get a result like this

  ********************************

  * Testing StereoAND comparator *

  ********************************

  mol1 = ClC1CCCCC1Br

  mol2 = ClC1CCCC[C@@H]1Br |r|

  mol3 = ClC1CCCCC1Br |w:6.7|

  Without comparator
  Query: mol1, target: mol2
  1. search:
          Hit 1:  0 1 2 3 4 5 6 7
  .
  .
  .
  .


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   Sources are included and freely reusable.
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