User contributions for Rgc

10:4810:48, 5 June 2014 diff hist −98‎ Pka ‎No edit summary current
10:4810:48, 5 June 2014 diff hist +98‎ Pka ‎No edit summary

21:1421:14, 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..."

21:1121:11, 22 October 2013 diff hist +35‎ m Dock3.7 ‎No edit summary

17:1617:16, 27 June 2013 diff hist +98‎ Pka ‎No edit summary

18:3318:33, 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 ..."

20:3720:37, 4 April 2013 diff hist −18‎ m Dock3.7 ‎No edit summary

04:4204:42, 28 March 2013 diff hist 0‎ m DOCK3.7 INDOCK ‎No edit summary

17:1317:13, 27 March 2013 diff hist +4‎ m Dock3.7 ‎No edit summary
17:1217:12, 27 March 2013 diff hist +2,103‎ Dock3.7 ‎ dock 3.7 user manual step 1
16:4016:40, 27 March 2013 diff hist +4,122‎ N Dock3.7 ‎ not done yet, will be DOCK3.7 manual
15:0315:03, 27 March 2013 diff hist +1‎ m DOCK3.7 INDOCK ‎No edit summary

21:5521:55, 26 March 2013 diff hist +4,731‎ N DOCK3.7 INDOCK ‎ DOCK3.7 indock file documentation.

17:1717:17, 18 January 2013 diff hist −14‎ m GPCR Waiver Wire ‎ taking myself off the list, since it is ignored anyway.

23:3723:37, 30 October 2012 diff hist +60‎ m Blaster Issues ‎ problem report from magdalena, low priority but things we should be aware of current

17:2517:25, 12 October 2012 diff hist +19‎ m User:Rgc ‎No edit summary current

19:2019:20, 18 September 2012 diff hist +115‎ Cluster Usage ‎No edit summary

19:3519:35, 11 July 2012 diff hist −1‎ m Mol2db2 Format 2 ‎No edit summary

18:0918:09, 9 July 2012 diff hist +23‎ m Mol2db2 Format 2 ‎ another wishlist item

05:4005:40, 7 July 2012 diff hist +76‎ Hit picking party ‎ added Nir's PAINS link

17:0517:05, 26 March 2012 diff hist −16‎ m Visualizing delphi ‎No edit summary

18:0618:06, 28 February 2012 diff hist −72‎ m Flexibase Format ‎ making documentation match reality

18:5118:51, 14 February 2012 diff hist +30‎ N Mol2db Format 2 ‎ Mol2db Format 2 moved to Mol2db2 Format 2
18:5118:51, 14 February 2012 diff hist 0‎ m Mol2db2 Format 2 ‎ Mol2db Format 2 moved to Mol2db2 Format 2

21:0821:08, 13 February 2012 diff hist +11‎ m Qnifft DOCK 3.6 conversion ‎No edit summary
21:0721:07, 13 February 2012 diff hist +60‎ m Enm explorer ‎ link to paper

16:5616:56, 8 February 2012 diff hist +1‎ m Db2multipdb.py ‎No edit summary
16:5616:56, 8 February 2012 diff hist +51‎ m Db2multipdb.py ‎No edit summary
01:0001:00, 8 February 2012 diff hist +403‎ m Multimol2db.py ‎ added some tips to get this to work from Nir

23:3423:34, 6 February 2012 diff hist −33‎ m Dock Ligand Clustering ‎No edit summary
23:3423:34, 6 February 2012 diff hist +225‎ m Dock Ligand Clustering ‎No edit summary
18:5118:51, 6 February 2012 diff hist +250‎ Multimol2db.py ‎ explaining how henry broke everything
18:5018:50, 6 February 2012 diff hist +93‎ m Multimol2db.py ‎No edit summary

22:2722:27, 3 February 2012 diff hist +403‎ Multimol2db.py ‎No edit summary
22:2622:26, 3 February 2012 diff hist +38‎ N Multimol2db.py ‎No edit summary
22:2622:26, 3 February 2012 diff hist +132‎ Dockenv Scripts ‎ →‎Utilities

19:2619:26, 19 January 2012 diff hist +6‎ Flexibase Format ‎No edit summary
19:2519:25, 19 January 2012 diff hist +608‎ Flexibase Format ‎ adding more info on colors

18:4118:41, 17 January 2012 diff hist +1,940‎ Mol2db2 Format 2 ‎ adding f95 statements

20:1720:17, 9 January 2012 diff hist +99‎ m Mol2db2 Format 2 ‎No edit summary

18:3818:38, 6 January 2012 diff hist +43‎ N Chemoinformatics Waiver Wire ‎No edit summary

20:3420:34, 4 January 2012 diff hist +483‎ How to compile DOCK ‎ other problems found
17:1717:17, 4 January 2012 diff hist +25‎ How to compile DOCK ‎ dock_base setup to compile
17:1517:15, 4 January 2012 diff hist +2‎ m How to compile DOCK ‎No edit summary
17:1517:15, 4 January 2012 diff hist +180‎ m How to compile DOCK ‎No edit summary

18:0718:07, 22 December 2011 diff hist −15‎ m Qnifft DOCK 3.6 conversion ‎No edit summary
18:0618:06, 22 December 2011 diff hist −15‎ m Qnifft DOCK 3.6 conversion ‎No edit summary
18:0618:06, 22 December 2011 diff hist −7‎ DOCK 3.6 ‎No edit summary

22:4522:45, 20 December 2011 diff hist +270‎ CSD ‎No edit summary

23:1323:13, 15 December 2011 diff hist +6‎ INDOCK for DOCK 3.6 ‎No edit summary
23:1323:13, 15 December 2011 diff hist +71‎ INDOCK for DOCK 3.6 ‎No edit summary
22:2922:29, 15 December 2011 diff hist +91‎ N GPCR Waiver Wire ‎No edit summary

22:0322:03, 1 December 2011 diff hist +181‎ m Pka ‎No edit summary

20:1320:13, 21 November 2011 diff hist +102‎ Qnifft DOCK 3.6 conversion ‎No edit summary
20:1120:11, 21 November 2011 diff hist +33‎ m INDOCK for DOCK 3.6 ‎No edit summary
20:0920:09, 21 November 2011 diff hist −61‎ Qnifft DOCK 3.6 conversion ‎No edit summary
19:5519:55, 21 November 2011 diff hist +27‎ DOCK 3.6 ‎No edit summary

23:3823:38, 14 November 2011 diff hist +19‎ m Dock Ligand Clustering ‎No edit summary
23:3823:38, 14 November 2011 diff hist +19‎ m Qnifft DOCK 3.6 conversion ‎No edit summary
17:1417:14, 14 November 2011 diff hist +97‎ m DOCK 3.6 ‎ →‎Qnifft

00:0700:07, 12 November 2011 diff hist +5‎ Splitdb.py ‎No edit summary
00:0600:06, 12 November 2011 diff hist +386‎ N Splitdb.py ‎ new page about splitdb.py
00:0400:04, 12 November 2011 diff hist +117‎ Dockenv Scripts ‎ new code

17:1517:15, 11 November 2011 diff hist +104‎ m MPose ‎No edit summary

21:0621:06, 9 November 2011 diff hist +258‎ m Qnifft DOCK 3.6 conversion ‎No edit summary
21:0421:04, 9 November 2011 diff hist +25‎ m Dock Ligand Clustering ‎No edit summary

23:3923:39, 19 October 2011 diff hist +108‎ m INDOCK for DOCK 3.6 ‎No edit summary
17:2517:25, 19 October 2011 diff hist +458‎ m Qnifft DOCK 3.6 conversion ‎ compilation
17:2317:23, 19 October 2011 diff hist +382‎ m Qnifft DOCK 3.6 conversion ‎ finished first draft?
00:5400:54, 19 October 2011 diff hist +1,290‎ N Qnifft DOCK 3.6 conversion ‎ stopping for the night, first draft.
00:1100:11, 19 October 2011 diff hist +265‎ m DOCK 3.6 ‎No edit summary

22:4022:40, 13 October 2011 diff hist +1,346‎ DOCK 3.6 ‎ restoring

18:0918:09, 28 September 2011 diff hist +4‎ m Decoy Theory ‎No edit summary

22:2822:28, 26 September 2011 diff hist +24‎ m Inspecting electron density maps ‎No edit summary
22:2622:26, 26 September 2011 diff hist +4‎ m Decoy Theory ‎No edit summary
22:2522:25, 26 September 2011 diff hist +11‎ m Delphi ‎No edit summary
22:1822:18, 26 September 2011 diff hist −298‎ m Grid Based Score ‎ formatting
22:0822:08, 26 September 2011 diff hist +57‎ Delphi electrostatics ‎No edit summary
22:0722:07, 26 September 2011 diff hist +20‎ Decoys ‎No edit summary
22:0522:05, 26 September 2011 diff hist +90‎ m Decoy Theory ‎ categories
22:0322:03, 26 September 2011 diff hist +2,019‎ Decoy Theory ‎ a page trying to explain decoy theory
21:2721:27, 26 September 2011 diff hist +13‎ m Decoy Theory ‎No edit summary
21:2621:26, 26 September 2011 diff hist +62‎ m Decoy Theory ‎No edit summary
21:2621:26, 26 September 2011 diff hist +28‎ m Decoy Theory ‎ new page outline
21:2621:26, 26 September 2011 diff hist +120‎ Nm Decoy Theory ‎ new page outline

20:4220:42, 23 September 2011 diff hist −1‎ m ZINC Database ‎No edit summary
20:4220:42, 23 September 2011 diff hist −5‎ m ZINC Database ‎No edit summary
20:4120:41, 23 September 2011 diff hist +19‎ m ZINC Database ‎No edit summary

20:2920:29, 13 September 2011 diff hist 0‎ m INDOCK for DOCK 3.6 ‎No edit summary

18:1718:17, 12 September 2011 diff hist +11,020‎ N INDOCK for DOCK 3.6 ‎ try to document INDOCK file

21:0621:06, 8 September 2011 diff hist +65‎ CSD ‎No edit summary

21:3621:36, 5 September 2011 diff hist +119‎ m Travel Depth ‎ →‎Pocket Picking

23:0223:02, 17 August 2011 diff hist +67‎ m Dock Ligand Clustering ‎No edit summary

21:4221:42, 21 July 2011 diff hist +33‎ Dock Ligand Clustering ‎No edit summary
21:4221:42, 21 July 2011 diff hist +1,575‎ N Dock Ligand Clustering ‎ first version

16:5816:58, 23 June 2011 diff hist −56‎ CSD ‎ deleting password

17:5217:52, 21 June 2011 diff hist +1‎ m ChEMBL errata ‎No edit summary
17:5117:51, 21 June 2011 diff hist −4‎ m ChEMBL errata ‎No edit summary
17:5117:51, 21 June 2011 diff hist +152‎ ChEMBL errata ‎No edit summary
17:4317:43, 21 June 2011 diff hist −2‎ m ChEMBL errata ‎No edit summary
17:4217:42, 21 June 2011 diff hist +114‎ N ChEMBL errata ‎No edit summary
17:0317:03, 21 June 2011 diff hist 0‎ m Group Meeting ‎No edit summary

20:2720:27, 20 June 2011 diff hist −1‎ m Group Meeting ‎No edit summary

21:5021:50, 16 June 2011 diff hist +62‎ Pka ‎No edit summary

17:1617:16, 13 June 2011 diff hist −2‎ m Reactive groups ‎No edit summary

00:1700:17, 11 June 2011 diff hist +1‎ Reactive groups ‎No edit summary
00:1700:17, 11 June 2011 diff hist +1‎ Reactive groups ‎No edit summary
00:1700:17, 11 June 2011 diff hist +189‎ N Reactive groups ‎No edit summary
00:1500:15, 11 June 2011 diff hist +47‎ m Hit picking party ‎No edit summary

23:4023:40, 9 June 2011 diff hist +4‎ Hit picking party ‎No edit summary
23:3923:39, 9 June 2011 diff hist +46‎ m Hit picking party ‎No edit summary

23:4123:41, 8 June 2011 diff hist +8‎ Mol2db2 Format 2 ‎No edit summary

17:3417:34, 1 June 2011 diff hist +22‎ Group Meeting ‎ →‎Google Calendarise the Shoichet Group Meeting schedule: note skipping the 10th

20:0620:06, 24 May 2011 diff hist +46‎ Mol2db2 Format 2 ‎No edit summary

22:5422:54, 23 May 2011 diff hist +28‎ m Mol2db2 Format 2 ‎ small edits
22:4922:49, 23 May 2011 diff hist +5‎ m Mol2db2 Format 2 ‎ deleting ridiculously long set ids

21:0021:00, 20 May 2011 diff hist +128‎ Mol2db2 Format 2 ‎No edit summary
20:3720:37, 20 May 2011 diff hist +55‎ Mol2db2 Format 2 ‎No edit summary
20:3120:31, 20 May 2011 diff hist +163‎ Mol2db2 Format 2 ‎ beginning of cluster stuff

01:1001:10, 12 May 2011 diff hist +240‎ m DOCK 3 ‎No edit summary

17:3317:33, 3 May 2011 diff hist +9‎ Mol2db2 Format 2 ‎ zinc codes now 16 characters

02:1302:13, 18 April 2011 diff hist +287‎ N Using molgrep to search ZINC ‎No edit summary

00:1700:17, 15 April 2011 diff hist +47‎ CSD ‎No edit summary

20:3620:36, 1 April 2011 diff hist +111‎ m Flexibase Format ‎ adding a note about id numbers, which magdalena "discovered"

00:0800:08, 25 March 2011 diff hist −36‎ CSD ‎No edit summary

17:5617:56, 10 February 2011 diff hist −22‎ Mol2db2 Format 2 ‎No edit summary
17:3617:36, 10 February 2011 diff hist −1,560‎ Mol2db2 Format 2 ‎ major edit, getting rid of mix-n-match and hierarchy

00:5800:58, 20 January 2011 diff hist +55‎ Pka ‎No edit summary

06:1606:16, 19 January 2011 diff hist +435‎ N Pka ‎No edit summary

23:3023:30, 3 January 2011 diff hist +11‎ m Mol2db2 Format 2 ‎No edit summary
23:2123:21, 3 January 2011 diff hist +166‎ Mol2db2 Format 2 ‎ adding Peter Kolb's suggestion of arbitrary information container

18:5218:52, 28 December 2010 diff hist +78‎ Mol2db2 Format 2 ‎No edit summary
18:3118:31, 28 December 2010 diff hist +12‎ Mol2db2 Format 2 ‎No edit summary
18:3018:30, 28 December 2010 diff hist +14‎ Mol2db2 Format 2 ‎No edit summary
18:1718:17, 28 December 2010 diff hist +98‎ Mol2db2 Format 2 ‎No edit summary
18:1418:14, 28 December 2010 diff hist +53‎ Mol2db2 Format 2 ‎No edit summary

19:1719:17, 6 December 2010 diff hist +4‎ Mol2db2 Format 2 ‎No edit summary
19:1719:17, 6 December 2010 diff hist +76‎ Mol2db2 Format 2 ‎No edit summary

23:3823:38, 23 November 2010 diff hist 0‎ m Mol2db2 Format 2 ‎No edit summary
22:2422:24, 23 November 2010 diff hist +127‎ Mol2db2 Format 2 ‎ adding more stuff to db2 file including dud energy placeholder

00:1300:13, 30 October 2010 diff hist +162‎ Travel Depth ‎No edit summary

20:0220:02, 27 October 2010 diff hist +270‎ Inspecting electron density maps ‎No edit summary
19:1119:11, 27 October 2010 diff hist +3‎ Tutorials ‎No edit summary
19:1119:11, 27 October 2010 diff hist +36‎ Tutorials ‎No edit summary
19:1019:10, 27 October 2010 diff hist +25‎ Inspecting electron density maps ‎No edit summary
19:1019:10, 27 October 2010 diff hist +494‎ N Inspecting electron density maps ‎ copied & pasted from email from oliv

16:2816:28, 22 October 2010 diff hist +92‎ Tutorials ‎No edit summary

23:4823:48, 21 October 2010 diff hist +46‎ Tutorials ‎No edit summary
23:3423:34, 21 October 2010 diff hist +1‎ Tutorials ‎No edit summary
23:3423:34, 21 October 2010 diff hist +30‎ N Shoichet Lab Users/pymol background ‎ Shoichet Lab Users/pymol background moved to Pymol background: not a subpage!
23:3423:34, 21 October 2010 diff hist 0‎ m Pymol background ‎ Shoichet Lab Users/pymol background moved to Pymol background: not a subpage!
23:3323:33, 21 October 2010 diff hist 0‎ Tutorials ‎No edit summary
23:3323:33, 21 October 2010 diff hist +23‎ Tutorials ‎No edit summary
23:3323:33, 21 October 2010 diff hist +24‎ Pymol background ‎No edit summary

20:2020:20, 7 October 2010 diff hist +46‎ N Shoichet Lab Photos ‎No edit summary

17:4317:43, 22 September 2010 diff hist +9‎ Cluster Usage ‎No edit summary

21:4021:40, 15 September 2010 diff hist +377‎ Cluster Usage ‎No edit summary

21:2221:22, 3 September 2010 diff hist +25‎ Mol2db2 Format 2 ‎ adding hydrogen set data

20:0520:05, 31 August 2010 diff hist +4‎ Dock development ‎No edit summary
20:0520:05, 31 August 2010 diff hist +16‎ Dock development ‎No edit summary
20:0420:04, 31 August 2010 diff hist +528‎ N Dock development ‎No edit summary

18:1218:12, 22 July 2010 diff hist +385‎ Flexible docking code ‎No edit summary
18:1018:10, 22 July 2010 diff hist +204‎ N Flexible docking code ‎ temp

19:4019:40, 19 July 2010 diff hist +50‎ Hit picking party ‎ →‎Before the party
19:4019:40, 19 July 2010 diff hist −49‎ Hit picking party ‎ →‎During the party
17:4817:48, 19 July 2010 diff hist +41‎ CSD ‎No edit summary

20:0620:06, 18 July 2010 diff hist +49‎ Hit picking party ‎ →‎During the party
20:0520:05, 18 July 2010 diff hist +17‎ N Csd ‎ Csd moved to CSD
20:0520:05, 18 July 2010 diff hist 0‎ m CSD ‎ Csd moved to CSD
20:0520:05, 18 July 2010 diff hist +202‎ N CSD ‎No edit summary

00:4400:44, 24 June 2010 diff hist +7‎ m ROCS ‎ formatting
00:4300:43, 24 June 2010 diff hist +25‎ m ROCS ‎ categorizing
00:4300:43, 24 June 2010 diff hist +208‎ ROCS ‎ adding useful links

22:3622:36, 23 June 2010 diff hist +176‎ Nm ROCS ‎ new page
22:3522:35, 23 June 2010 diff hist +4‎ m Shape based methods ‎ adding link to rocs page

23:3323:33, 16 June 2010 diff hist −9,171‎ m Cluster 3 ‎ Reverted edits by Dizik (Talk); changed back to last version by Suhaib

22:4822:48, 15 June 2010 diff hist +197‎ N SciFinder ‎ new page about scifinder

18:0018:00, 18 May 2010 diff hist −2‎ m Mol2db2 Format 2 ‎ stupid newline
17:3417:34, 18 May 2010 diff hist +250‎ Mol2db2 Format 2 ‎ adding 2 more lines to the molecule entry

18:2918:29, 13 May 2010 diff hist 0‎ m Mol2db2 Format 2 ‎ adding 3 missing columns to setid

23:3723:37, 6 May 2010 diff hist +1‎ m DOCK Blaster:Prepare Input ‎ broken link
23:3723:37, 6 May 2010 diff hist +1‎ m DOCK Blaster:Prepare Input ‎ link broken
21:0121:01, 6 May 2010 diff hist +171‎ Cluster Usage ‎ adding some information. almost nothing here.
16:1416:14, 6 May 2010 diff hist −79‎ m ZINC Database ‎ Reverted edits by Paola mybhaby (Talk); changed back to last version by Frodo

17:1217:12, 22 April 2010 diff hist +60‎ m Mol2db2 Format 2 ‎ adding coord nums to conf output
17:0517:05, 22 April 2010 diff hist +29‎ m Mol2db2 Format 2 ‎ adding coordinate number

21:2321:23, 20 April 2010 diff hist +1,716‎ m Mol2db2 Format 2 ‎ adding fortran format lines
19:0119:01, 20 April 2010 diff hist −16‎ m Mol2db2 Format 2 ‎ copy/paste typo
18:5218:52, 20 April 2010 diff hist +83‎ m Mol2db2 Format 2 ‎ adding forgotten set lines

19:5419:54, 19 April 2010 diff hist +1‎ m Mol2db2 Format 2 ‎ end line for end line
19:5319:53, 19 April 2010 diff hist +28‎ m Mol2db2 Format 2 ‎ adding an end line
18:4518:45, 19 April 2010 diff hist −7‎ m Mol2db2 Format 2 ‎ left justify color names
16:3116:31, 19 April 2010 diff hist +18‎ m Mol2db2 Format 2 ‎ final bit about sets

02:4902:49, 17 April 2010 diff hist +2‎ m Mol2db2 Format 2 ‎ not quite done

23:1023:10, 16 April 2010 diff hist −3‎ m Mol2db2 Format 2 ‎ tiny edit
22:5922:59, 16 April 2010 diff hist +1‎ m Mol2db2 Format 2 ‎ changing alignment of text fields
22:5422:54, 16 April 2010 diff hist +70‎ m Mol2db2 Format 2 ‎ conf lines
22:2822:28, 16 April 2010 diff hist +216‎ m Mol2db2 Format 2 ‎ even more python format lines
18:5518:55, 16 April 2010 diff hist +57‎ m Mol2db2 Format 2 ‎ xyz python line
17:5917:59, 16 April 2010 diff hist 0‎ m Mol2db2 Format 2 ‎ fixing python lines
17:5817:58, 16 April 2010 diff hist 0‎ m Mol2db2 Format 2 ‎ editing things to make output sensible
17:5217:52, 16 April 2010 diff hist +64‎ m Mol2db2 Format 2 ‎ atom line, including changes
17:5017:50, 16 April 2010 diff hist +56‎ m Mol2db2 Format 2 ‎ adding to atom line
17:4417:44, 16 April 2010 diff hist +44‎ m Mol2db2 Format 2 ‎ more lines

23:3023:30, 15 April 2010 diff hist +36‎ m Mol2db2 Format 2 ‎ first molecule line
21:5421:54, 15 April 2010 diff hist +79‎ m Mol2db2 Format 2 ‎ beginning to copy/paste format statements
21:4421:44, 15 April 2010 diff hist +285‎ m Mol2db2 Format 2 ‎ implicit type lines
18:0818:08, 15 April 2010 diff hist +94‎ m Mol2db2 Format 2 ‎ done for now
18:0318:03, 15 April 2010 diff hist +137‎ m Mol2db2 Format 2 ‎ sets changed
17:5817:58, 15 April 2010 diff hist +313‎ m Mol2db2 Format 2 ‎ stuck on sets
17:5117:51, 15 April 2010 diff hist +195‎ m Mol2db2 Format 2 ‎ more
17:4717:47, 15 April 2010 diff hist +88‎ m Mol2db2 Format 2 ‎ atoms and bonds
17:4117:41, 15 April 2010 diff hist +141‎ m Mol2db2 Format 2 ‎ working through columns
17:1117:11, 15 April 2010 diff hist +307‎ m Mol2db2 Format 2 ‎ column work
16:5116:51, 15 April 2010 diff hist +126‎ m Mol2db2 Format 2 ‎ lots more things necessary to read in easily in fortran
16:4716:47, 15 April 2010 diff hist +77‎ m Mol2db2 Format 2 ‎ reworking file format
00:3600:36, 15 April 2010 diff hist +520‎ Mol2db2 Format 2 ‎ preliminary file format

20:3120:31, 6 April 2010 diff hist +18‎ m Mol2db2 Format 2 ‎ mmm's suggestion

17:0917:09, 5 April 2010 diff hist +18‎ m Visualizing delphi ‎ more categories
17:0817:08, 5 April 2010 diff hist +25‎ m Visualizing delphi ‎ adding categories

23:1223:12, 2 April 2010 diff hist −49‎ m DUMM6 ‎ →‎Slides: removing duplicates
21:3721:37, 2 April 2010 diff hist +9‎ m DUMM6 ‎ →‎Slides: fixing error
16:1916:19, 2 April 2010 diff hist +35‎ m DUMM6 ‎ formatting
16:1816:18, 2 April 2010 diff hist +161‎ m DUMM6 ‎ update
00:0500:05, 2 April 2010 diff hist +899‎ DUMM6 ‎ adding slides

16:2916:29, 1 April 2010 diff hist +11‎ m Visualizing delphi ‎ cutesy tagging
15:5215:52, 1 April 2010 diff hist +1‎ m Visualizing delphi ‎ fixing
15:5115:51, 1 April 2010 diff hist 0‎ m Visualizing delphi ‎ fixing
15:5115:51, 1 April 2010 diff hist 0‎ m Visualizing delphi ‎ changing image name
15:5015:50, 1 April 2010 diff hist +55‎ m Visualizing delphi ‎ thumbnail images
15:4715:47, 1 April 2010 diff hist +193‎ Visualizing delphi ‎ final note, anthropomorphizing the scoring function
15:4515:45, 1 April 2010 diff hist +898‎ Visualizing delphi ‎ updating page with screenshots

22:0422:04, 31 March 2010 diff hist +126‎ m Mol2db2 Format 2 ‎ peter kolb's suggestions
21:3121:31, 31 March 2010 diff hist 0‎ m Mol2db2 Format 2 ‎ Flexibase Format 2 moved to Mol2db Format 2: name change, not sure why we use flexibase
21:3121:31, 31 March 2010 diff hist +29‎ N Flexibase Format 2 ‎ Flexibase Format 2 moved to Mol2db Format 2: name change, not sure why we use flexibase
21:2721:27, 31 March 2010 diff hist +84‎ m Mol2db2 Format 2 ‎ update to match online with notebook
17:2017:20, 31 March 2010 diff hist +10‎ m Dock Users' Meeting Minutes (DUMM) ‎ update date

19:0019:00, 30 March 2010 diff hist −4‎ m Visualizing delphi ‎ formatting
19:0019:00, 30 March 2010 diff hist 0‎ m Visualizing delphi ‎ numbers
18:5918:59, 30 March 2010 diff hist +144‎ m Visualizing delphi ‎ beginning of outline
18:5818:58, 30 March 2010 diff hist +4‎ m Visualizing delphi ‎ new page, i'll finish this eventually
18:5818:58, 30 March 2010 diff hist +120‎ N Visualizing delphi ‎ new page, i'll finish this eventually
18:5718:57, 30 March 2010 diff hist +110‎ Delphi ‎ adding a link to a visualization of delphi tutorial

20:5120:51, 29 March 2010 diff hist +80‎ m Travel Depth ‎ →‎Ligand Volume/Surface Area: explanation of environment setup
17:5817:58, 29 March 2010 diff hist +2‎ m Travel Depth ‎ moving toc
17:5817:58, 29 March 2010 diff hist +27‎ m Travel Depth ‎ →‎Ligand Volume/Surface Area
16:4216:42, 29 March 2010 diff hist +271‎ Travel Depth ‎ →‎Ligand Volume/Surface Area: bondi radii description
16:4016:40, 29 March 2010 diff hist +14‎ m Travel Depth ‎ adding toc
16:3816:38, 29 March 2010 diff hist +674‎ Travel Depth ‎ adding ligand volume description
16:3516:35, 29 March 2010 diff hist +23‎ m Travel Depth ‎ adding headings

00:4700:47, 26 March 2010 diff hist +53‎ Nm MODBASE ‎ adding a link to modbase

22:5222:52, 19 March 2010 diff hist 0‎ m DUMM6 ‎ formatting
22:5022:50, 19 March 2010 diff hist +18‎ m Dock Users' Meeting Minutes (DUMM) ‎No edit summary
22:4922:49, 19 March 2010 diff hist +287‎ N DUMM6 ‎ making a page for the next as yet unscheduled DUMM meeting

22:4322:43, 18 March 2010 diff hist +19‎ m Tutorials ‎ categorizing
22:4222:42, 18 March 2010 diff hist +45‎ m Travel Depth ‎ categorizing
17:5517:55, 18 March 2010 diff hist −1‎ m Travel Depth ‎ formatting
17:5517:55, 18 March 2010 diff hist +14‎ m Travel Depth ‎ formatting
17:5417:54, 18 March 2010 diff hist +1‎ m Travel Depth ‎ formatting sucks
17:4817:48, 18 March 2010 diff hist +63‎ m Travel Depth ‎ adding tstconvexhull explanation

21:5821:58, 17 March 2010 diff hist +54‎ 2D to 3D ‎ adding a 3d molecule generation tool that i saw in literature
17:0917:09, 17 March 2010 diff hist −42‎ m DOCK Overview ‎ formatting
01:4001:40, 17 March 2010 diff hist −9‎ m Vdw.defn ‎ formatting
01:3801:38, 17 March 2010 diff hist +4‎ m Travel Depth ‎ formatting
01:2001:20, 17 March 2010 diff hist +8‎ m Travel Depth ‎ formatting
01:2001:20, 17 March 2010 diff hist +2,877‎ N Travel Depth ‎ adding a page about the travel depth code from the sharp lab

01:5801:58, 16 March 2010 diff hist −111‎ m Flex drive.tbl ‎ formatting
01:5601:56, 16 March 2010 diff hist −57‎ m FAQ:mmolex ‎ formatting

22:0822:08, 15 March 2010 diff hist −16‎ m Showbox ‎ fixing formatting
22:0622:06, 15 March 2010 diff hist −56‎ m Parameter Parser ‎ formatting fixups
22:0122:01, 15 March 2010 diff hist +1‎ m Sphere Matching ‎ fixing formatting
22:0122:01, 15 March 2010 diff hist −32‎ m Sphere Matching ‎ fixing formatting

18:5018:50, 5 March 2010 diff hist +22‎ Db2multipdb.py ‎ i guess this is a tutorial now
18:4618:46, 5 March 2010 diff hist +21‎ Tutorials ‎ adding db2multipdb.py decoder ring to tutorials page

18:5618:56, 3 March 2010 diff hist +1‎ Flexibase Format ‎ correcting documentation since partial charges are actually multiplied by 10000 not 1000.

22:3122:31, 28 February 2010 diff hist +36‎ DOCK:Problems ‎ →‎DOCK 3.5.54

19:0019:00, 16 February 2010 diff hist +36‎ m DOCK:Problems ‎ →‎DOCK 3.5.54

19:3319:33, 20 January 2010 diff hist +154‎ m Flexibase Format ‎ adding note about the column spacing being wrong
19:2319:23, 20 January 2010 diff hist 0‎ m Flexibase Format ‎No edit summary
19:2019:20, 20 January 2010 diff hist −116‎ Flexibase Format ‎ fixing carriage returns

02:0702:07, 7 January 2010 diff hist +139‎ Mol2db ‎ clarifying mol2db changes

23:1423:14, 10 December 2009 diff hist +307‎ m Db2multipdb.py ‎ explaining error precedence
23:1023:10, 10 December 2009 diff hist +22‎ m Db2multipdb.py ‎No edit summary
23:0523:05, 10 December 2009 diff hist +24‎ m Db2multipdb.py ‎ changing formatting
23:0523:05, 10 December 2009 diff hist +610‎ Db2multipdb.py ‎ talking about pdb file output
23:0123:01, 10 December 2009 diff hist +5‎ m Db2multipdb.py ‎No edit summary
23:0023:00, 10 December 2009 diff hist 0‎ m Db2multipdb.py ‎No edit summary
23:0023:00, 10 December 2009 diff hist +13‎ m Db2multipdb.py ‎ link to author page
22:5922:59, 10 December 2009 diff hist +1,148‎ Db2multipdb.py ‎ full description of program
22:4722:47, 10 December 2009 diff hist +63‎ m Db2multipdb.py ‎ script location
22:4722:47, 10 December 2009 diff hist 0‎ m Db2multipdb.py ‎ link to flexibase page
22:4622:46, 10 December 2009 diff hist +21‎ m Db2multipdb.py ‎ link to flexibase page
22:4522:45, 10 December 2009 diff hist −9‎ Db2multipdb.py ‎ new file describing db2multipdb.py
22:4522:45, 10 December 2009 diff hist +466‎ N Db2multipdb.py ‎ new file describing db2multipdb.py
22:4222:42, 10 December 2009 diff hist +73‎ Mol2db ‎ adding link to new decoder tool

20:0420:04, 9 December 2009 diff hist +354‎ Mol2db ‎ explaining distance tolerance

22:1222:12, 30 November 2009 diff hist +368‎ N Mol2db2 Format 2 ‎ new page about wishlist of features for mol2db/dock flexibase format

21:2821:28, 24 November 2009 diff hist +48‎ Mol2db ‎ changing to reflect new bugfix

17:1217:12, 18 November 2009 diff hist +107‎ Mol2db ‎ adding fix to multiple atom checks per level.

20:1120:11, 17 November 2009 diff hist −204‎ PBSA Score ‎ hopefully formatting this page correctly
20:0520:05, 17 November 2009 diff hist +4‎ m Mol2db ‎ making links correct
20:0520:05, 17 November 2009 diff hist 0‎ m Mol2db ‎No edit summary
19:0119:01, 17 November 2009 diff hist +321‎ Mol2db ‎ saving realization about source of bugs in confhier.c
03:2303:23, 17 November 2009 diff hist +55‎ Mol2db ‎No edit summary
02:3802:38, 17 November 2009 diff hist −3‎ Mol2db ‎ ordered lists
02:3502:35, 17 November 2009 diff hist +333‎ Mol2db ‎ better description
02:3002:30, 17 November 2009 diff hist +150‎ Mol2db ‎ describing algorithm in hiergen.

00:4700:47, 14 November 2009 diff hist +117‎ Mol2db ‎ hiergen.c update

22:2122:21, 13 November 2009 diff hist +57‎ m Mol2db ‎No edit summary
17:2217:22, 13 November 2009 diff hist +89‎ m Mol2db ‎ clarification of purpose
17:2217:22, 13 November 2009 diff hist +191‎ N Mol2db ‎ initial mol2db page

22:5422:54, 10 November 2009 diff hist +58‎ Flexibase Format ‎ calling the conformation tree output order infix, helpful word to google for more info.
01:5501:55, 10 November 2009 diff hist +173‎ Mol2 ‎ adding presumptions about multimol2 formatting
01:3701:37, 10 November 2009 diff hist −12‎ Mol2 ‎ removing whitespace from beginning of lines
01:3001:30, 10 November 2009 diff hist −11‎ Flexibase Format ‎ fixing example file spacing
01:2901:29, 10 November 2009 diff hist +601‎ Flexibase Format ‎ adding some descriptions as to how the atom coordinates/conformations are stored
01:1901:19, 10 November 2009 diff hist −21‎ Flexibase Format ‎ removing whitespace from beginning of lines
01:1801:18, 10 November 2009 diff hist +27‎ Flexibase Format ‎ changing code block to be a code block, adding details about atom coordinates

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