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- 10:48, 5 June 2014 diff hist -98 Pka current
- 10:48, 5 June 2014 diff hist +98 Pka
- 21:14, 7 February 2014 diff hist +1,200 N Multimol2db2.py Created 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..."
- 21:11, 22 October 2013 diff hist +35 m Dock3.7
- 17:16, 27 June 2013 diff hist +98 Pka
- 18:33, 26 June 2013 diff hist +407 N Chemdraw figure preparation Created 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 ..."
- 20:37, 4 April 2013 diff hist -18 m Dock3.7
- 04:42, 28 March 2013 diff hist 0 m DOCK3.7 INDOCK
- 17:13, 27 March 2013 diff hist +4 m Dock3.7
- 17:12, 27 March 2013 diff hist +2,103 Dock3.7 dock 3.7 user manual step 1
- 16:40, 27 March 2013 diff hist +4,122 N Dock3.7 not done yet, will be DOCK3.7 manual
- 15:03, 27 March 2013 diff hist +1 m DOCK3.7 INDOCK
- 21:55, 26 March 2013 diff hist +4,731 N DOCK3.7 INDOCK DOCK3.7 indock file documentation.
- 17:17, 18 January 2013 diff hist -14 m GPCR Waiver Wire taking myself off the list, since it is ignored anyway.
- 23:37, 30 October 2012 diff hist +60 m Blaster Issues problem report from magdalena, low priority but things we should be aware of current
- 17:25, 12 October 2012 diff hist +19 m User:Rgc current
- 19:20, 18 September 2012 diff hist +115 Cluster Usage
- 19:35, 11 July 2012 diff hist -1 m Mol2db2 Format 2
- 18:09, 9 July 2012 diff hist +23 m Mol2db2 Format 2 another wishlist item
- 05:40, 7 July 2012 diff hist +76 Hit picking party added Nir's PAINS link
- 17:05, 26 March 2012 diff hist -16 m Visualizing delphi
- 18:06, 28 February 2012 diff hist -72 m Flexibase Format making documentation match reality
- 18:51, 14 February 2012 diff hist +30 N Mol2db Format 2 Mol2db Format 2 moved to Mol2db2 Format 2
- 18:51, 14 February 2012 diff hist 0 m Mol2db2 Format 2 Mol2db Format 2 moved to Mol2db2 Format 2
- 21:08, 13 February 2012 diff hist +11 m Qnifft DOCK 3.6 conversion
- 21:07, 13 February 2012 diff hist +60 m Enm explorer link to paper
- 16:56, 8 February 2012 diff hist +1 m Db2multipdb.py
- 16:56, 8 February 2012 diff hist +51 m Db2multipdb.py
- 01:00, 8 February 2012 diff hist +403 m Multimol2db.py added some tips to get this to work from Nir
- 23:34, 6 February 2012 diff hist -33 m Dock Ligand Clustering
- 23:34, 6 February 2012 diff hist +225 m Dock Ligand Clustering
- 18:51, 6 February 2012 diff hist +250 Multimol2db.py explaining how henry broke everything
- 18:50, 6 February 2012 diff hist +93 m Multimol2db.py
- 22:27, 3 February 2012 diff hist +403 Multimol2db.py
- 22:26, 3 February 2012 diff hist +38 N Multimol2db.py
- 22:26, 3 February 2012 diff hist +132 Dockenv Scripts →Utilities
- 19:26, 19 January 2012 diff hist +6 Flexibase Format
- 19:25, 19 January 2012 diff hist +608 Flexibase Format adding more info on colors
- 18:41, 17 January 2012 diff hist +1,940 Mol2db2 Format 2 adding f95 statements
- 20:17, 9 January 2012 diff hist +99 m Mol2db2 Format 2
- 18:38, 6 January 2012 diff hist +43 N Chemoinformatics Waiver Wire
- 20:34, 4 January 2012 diff hist +483 How to compile DOCK other problems found
- 17:17, 4 January 2012 diff hist +25 How to compile DOCK dock_base setup to compile
- 17:15, 4 January 2012 diff hist +2 m How to compile DOCK
- 17:15, 4 January 2012 diff hist +180 m How to compile DOCK
- 18:07, 22 December 2011 diff hist -15 m Qnifft DOCK 3.6 conversion
- 18:06, 22 December 2011 diff hist -15 m Qnifft DOCK 3.6 conversion
- 18:06, 22 December 2011 diff hist -7 DOCK 3.6
- 22:45, 20 December 2011 diff hist +270 CSD
- 23:13, 15 December 2011 diff hist +6 INDOCK for DOCK 3.6