User contributions for Kyle.lutz
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21 May 2013
- 13:4513:45, 21 May 2013 diff hist +926 Avogadro APBS No edit summary current
17 May 2013
- 16:2216:22, 17 May 2013 diff hist +486 N Avogadro APBS Created page with "Avogadro2 supports [http://www.poissonboltzmann.org/apbs APBS] through the apbs extension. == Viewing APBS Output == Under the Extensions->APBS menu click on "Open Output Fil..."
- 16:1116:11, 17 May 2013 diff hist +68 N File:Avogadro2 Apbs 1MYK.png Potential Surface for 1MYK calculted by APBS and shown in Avogadro2. current
10 April 2013
- 13:1313:13, 10 April 2013 diff hist +997 N MongoChem PubChem Import Created page with "== Importing Data == The PubChem data in the SDF format can be imported with MongoChem's SDF importer. Under the File->Import menu select SDF to bring up the import dialog. Th..." current
18 January 2013
- 09:4909:49, 18 January 2013 diff hist +12 MongoChem RPC API No edit summary current
- 09:2709:27, 18 January 2013 diff hist +31 N ChemData RPC API moved ChemData RPC API to MongoChem RPC API current
- 09:2709:27, 18 January 2013 diff hist 0 m MongoChem RPC API moved ChemData RPC API to MongoChem RPC API
- 09:2709:27, 18 January 2013 diff hist +3 MongoChem RPC API No edit summary
- 09:2509:25, 18 January 2013 diff hist +1 MongoChem No edit summary
10 January 2013
- 15:5315:53, 10 January 2013 diff hist +1 MongoChem No edit summary
14 November 2012
- 17:0617:06, 14 November 2012 diff hist −4 MongoChem →Screenshots
- 17:0517:05, 14 November 2012 diff hist +29 Status November 2012 No edit summary current
9 November 2012
- 18:2518:25, 9 November 2012 diff hist +848 N Status November 2012 Created page with "=Current Activity= ==ChemData== * Implemented linked selection for the various chart dialogs. Now when making a selection in one chart (such as scatter plot) it will show up ..."
- 18:2418:24, 9 November 2012 diff hist 0 N File:ChemData KMeans ChartXYZ.png No edit summary current
- 18:2018:20, 9 November 2012 diff hist 0 N File:ChemData Linked Selection.png No edit summary current
18 September 2012
- 09:0409:04, 18 September 2012 diff hist +73 MongoChem Schema No edit summary
9 July 2012
- 10:2910:29, 9 July 2012 diff hist +1 MongoChem RPC API →Perform Molecular Similarity Queries
- 09:4109:41, 9 July 2012 diff hist +1 MongoChem RPC API No edit summary
7 July 2012
- 14:5014:50, 7 July 2012 diff hist −4 MongoChem RPC API →Convert Between Molecular Identifiers
- 14:5014:50, 7 July 2012 diff hist +30 MongoChem RPC API No edit summary
- 14:4414:44, 7 July 2012 diff hist −19 MongoChem RPC API No edit summary
- 14:4314:43, 7 July 2012 diff hist +1,197 MongoChem RPC API No edit summary
- 14:3314:33, 7 July 2012 diff hist −4 MongoChem RPC API No edit summary
- 14:3214:32, 7 July 2012 diff hist +3 MongoChem RPC API No edit summary
- 14:3214:32, 7 July 2012 diff hist +9 MongoChem RPC API No edit summary
- 14:3014:30, 7 July 2012 diff hist +850 MongoChem RPC API No edit summary
- 14:2214:22, 7 July 2012 diff hist +1,665 N MongoChem RPC API Created page with "=== Retreive Chemical JSON Data From An Identifier === ChemData provides a few different methods for reteiving stuctural infomation about a molecule from a unique identifier ..."
29 June 2012
- 11:1411:14, 29 June 2012 diff hist +71 AutoDock Workflow Demo No edit summary current
- 11:1211:12, 29 June 2012 diff hist +45 AutoDock Workflow Demo No edit summary
- 10:3310:33, 29 June 2012 diff hist +604 AutoDock Workflow Demo No edit summary
- 10:2910:29, 29 June 2012 diff hist 0 N File:OpenChemistry AutoDock Workflow Diagram.png No edit summary current
- 09:3209:32, 29 June 2012 diff hist +153 N AutoDock Workflow Demo Created page with "This page gives a demonstration of using the OpenChemistry suite of applications to simplify the preparation, execution, and analysis of docking studies."
13 June 2012
- 16:5516:55, 13 June 2012 diff hist +1 Chemical JSON No edit summary
- 15:5915:59, 13 June 2012 diff hist −22 Chemical JSON No edit summary
11 May 2012
- 13:0813:08, 11 May 2012 diff hist +108 Main Page No edit summary
14 April 2012
- 13:0913:09, 14 April 2012 diff hist +23 ChemData Development No edit summary current
- 13:0813:08, 14 April 2012 diff hist +37 ChemData Development No edit summary
- 12:3012:30, 14 April 2012 diff hist +85 Status April 2012 No edit summary current
- 12:3012:30, 14 April 2012 diff hist +107 Status April 2012 No edit summary
- 12:2912:29, 14 April 2012 diff hist 0 N File:Chemdata KMeans.png No edit summary current
- 11:3611:36, 14 April 2012 diff hist +197 ChemData Development No edit summary
13 April 2012
- 10:4810:48, 13 April 2012 diff hist +38 ChemData Development No edit summary
- 10:2010:20, 13 April 2012 diff hist +56 ChemData Development No edit summary
4 April 2012
- 14:4214:42, 4 April 2012 diff hist +7 Status April 2012 No edit summary
- 12:1812:18, 4 April 2012 diff hist +103 Status April 2012 No edit summary
- 12:1712:17, 4 April 2012 diff hist 0 N File:Chemdata Histogram.png No edit summary current
- 12:1212:12, 4 April 2012 diff hist +4 Status April 2012 No edit summary
- 12:1212:12, 4 April 2012 diff hist +72 Status April 2012 No edit summary
- 12:1112:11, 4 April 2012 diff hist +124 Status April 2012 No edit summary
- 12:1012:10, 4 April 2012 diff hist 0 N File:ChemData SimGraph Screenshot.png No edit summary current
- 12:0212:02, 4 April 2012 diff hist +198 Status April 2012 No edit summary
- 12:0112:01, 4 April 2012 diff hist 0 N File:ChemData Molecule Details Dialog.png No edit summary current
19 March 2012
- 14:3314:33, 19 March 2012 diff hist +47 N Status April 2012 Created page with "=Current Activity= Category:Status Reports"
16 March 2012
- 15:4015:40, 16 March 2012 diff hist +124 Status March 2012 No edit summary current
- 10:5810:58, 16 March 2012 diff hist +1,368 N CML HDF5 Created page with "This page contains a proposal for an extension to [http://www.xml-cml.org/ CML] which would enable the storage of heavy-data (e.g. coordinate sets) in external [http://www.hdf..." current
15 March 2012
- 11:2511:25, 15 March 2012 diff hist +40 MongoChem No edit summary
- 10:4610:46, 15 March 2012 diff hist +213 Status March 2012 No edit summary
- 10:4310:43, 15 March 2012 diff hist 0 N File:ChemData Parallel Coordinates.png No edit summary current
- 10:0110:01, 15 March 2012 diff hist +150 Coding Style No edit summary
14 March 2012
- 14:4914:49, 14 March 2012 diff hist 0 MongoChem No edit summary
- 14:4814:48, 14 March 2012 diff hist +102 MongoChem No edit summary
- 14:4414:44, 14 March 2012 diff hist +75 Status March 2012 No edit summary
- 14:4114:41, 14 March 2012 diff hist +95 Status March 2012 No edit summary
- 14:2914:29, 14 March 2012 diff hist +13 MongoChem No edit summary
- 14:2814:28, 14 March 2012 diff hist 0 N File:ChemData Plot with Diagram Tooltip.png No edit summary current
8 March 2012
- 13:3613:36, 8 March 2012 diff hist +18 MolCore No edit summary current
- 13:3513:35, 8 March 2012 diff hist +32 MongoChem No edit summary
- 13:3413:34, 8 March 2012 diff hist 0 N File:ChemData Scatter Plot.png No edit summary current
- 13:0413:04, 8 March 2012 diff hist +18 Chemkit No edit summary current
- 13:0413:04, 8 March 2012 diff hist +181 Avogadro No edit summary
- 13:0213:02, 8 March 2012 diff hist 0 MoleQueue No edit summary
- 13:0113:01, 8 March 2012 diff hist 0 MoleQueue No edit summary
- 13:0013:00, 8 March 2012 diff hist +111 OpenQube No edit summary current
- 12:5812:58, 8 March 2012 diff hist 0 N File:OpenQube HOMO.jpeg No edit summary current
- 12:5712:57, 8 March 2012 diff hist +117 MoleQueue No edit summary
- 12:5612:56, 8 March 2012 diff hist 0 N File:MoleQueue Screenshot.png No edit summary
- 12:4512:45, 8 March 2012 diff hist −121 MongoChem No edit summary
- 12:4512:45, 8 March 2012 diff hist +313 MongoChem No edit summary
7 March 2012
- 15:1315:13, 7 March 2012 diff hist +64 MongoChem No edit summary
- 14:4214:42, 7 March 2012 diff hist +623 N MongoChem Schema Created page with "This page describes the schema for the mongo database used by ChemData. ==Molecules Collection== The data is stored in a format similar to Chemical JSON. <source lang="Ja..."
6 March 2012
- 18:1418:14, 6 March 2012 diff hist +379 Status March 2012 No edit summary
- 18:1318:13, 6 March 2012 diff hist 0 N File:ChemData Plot Matrix Screenshot.png No edit summary current
- 18:0618:06, 6 March 2012 diff hist 0 File:ChemData Query Screenshot.png uploaded a new version of "File:ChemData Query Screenshot.png" current
- 18:0418:04, 6 March 2012 diff hist 0 N File:ChemData Query Screenshot.png No edit summary
- 14:1814:18, 6 March 2012 diff hist +83 N Category:Status Reports Created page with "The category holds the month-by-month status reports for the OpenChemistry project." current
- 14:1614:16, 6 March 2012 diff hist +29 Status February 2012 No edit summary current
- 14:1614:16, 6 March 2012 diff hist +29 Status March 2012 No edit summary
- 14:1414:14, 6 March 2012 diff hist +311 N Status March 2012 Created page with "=Current Activity= ==ChemData== * Rewrote and generalized data import scripts using Python. * Added script to generate diagrams using OpenBabel's SVG output and import them i..."
6 December 2011
- 15:2415:24, 6 December 2011 diff hist +252 N Avogadro Created page with "Avogadro is an open-source molecular editor. The project's home page is: [http://avogadro.openmolecules.net http://avogadro.openmolecules.net]. Source code is available on G..."
- 15:2315:23, 6 December 2011 diff hist +242 N Chemkit Created page with "Chemkit is an open-source C++ library for chemistry. The project's home page is: [http://www.chemkit.org http://www.chemkit.org]. Source code is available on GitHub: [https:..."
- 15:2115:21, 6 December 2011 diff hist +188 N OpenQube Created page with "OpenQube is an open-source C++ library for reading quantum chemistry data files. Source code is available on GitHub: [https://github.com/cryos/openqube https://github.com/cry..."
- 15:2015:20, 6 December 2011 diff hist +210 N MolCore Created page with "MolCore is an open-source C++ library containing efficient data structures and algorithms for chemistry. Source code is available on GitHub: [https://github.com/cryos/MolCore..."
- 15:1815:18, 6 December 2011 diff hist +105 Main Page No edit summary