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dkoes · Oct 27, 2016 · fab43da · fab43da
1 parent c1996bd
commit fab43da
Showing 1 changed file with 6 additions and 1 deletion.
diff --git a/rdconf.py b/rdconf.py
@@ -6,7 +6,12 @@
 import os, gzip
 
 '''Given a smiles file, generate 3D conformers in output sdf.  
-Energy minimizes and filters conformers to meet energy window and rms constraints.'''
+Energy minimizes and filters conformers to meet energy window and rms constraints.
+
+Some time ago I compared this to alternative conformer generators and
+it was quite competitive (especially after RDKit's UFF implementation 
+added OOP terms).
+'''
 
 #convert smiles to sdf
 def getRMS(mol, c1,c2):