User contributions for Rgc

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5 June 2014

7 February 2014

  • 21:1421:14, 7 February 2014 diff hist +1,200 N Multimol2db2.pyCreated page with "'''multimol2db2.py''' This script is a utility program that takes as input a .mol2 file that has been protonated and all conformations have been generated with OMEGA (or alte..."

22 October 2013

27 June 2013

26 June 2013

  • 18:3318:33, 26 June 2013 diff hist +407 N Chemdraw figure preparationCreated page with "Chemdraw figures. First, kekulize your SMILES (remove aromatic groups). convert.py --i=prospective_tries.smiles --o=temp.smi --smioKekule Now, copy/paste each SMILES into ..."

4 April 2013

28 March 2013

27 March 2013

26 March 2013

18 January 2013

30 October 2012

12 October 2012

18 September 2012

11 July 2012

9 July 2012

7 July 2012

26 March 2012

28 February 2012

14 February 2012

13 February 2012

8 February 2012

6 February 2012

3 February 2012

19 January 2012

17 January 2012

9 January 2012

6 January 2012

4 January 2012

22 December 2011

20 December 2011

15 December 2011

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