User contributions for Mysinger
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10 May 2012
- 21:4421:44, 10 May 2012 diff hist 0 m Preparing the protein switch to solvmap_sev
- 21:4221:42, 10 May 2012 diff hist +8 m Preparing the protein change solvmap to newsolv.sev in 2 places
15 March 2012
- 20:5220:52, 15 March 2012 diff hist 0 m ZINC processing pipeline Adjust current ring puckering settings
25 January 2012
26 October 2011
- 20:4520:45, 26 October 2011 diff hist 0 m INDOCK for DOCK 3.6 change file date to match sphere change
- 20:4120:41, 26 October 2011 diff hist 0 INDOCK for DOCK 3.6 change match3 to match2
17 October 2011
- 01:4301:43, 17 October 2011 diff hist +79 m INDOCK for DOCK 3.6 note that remove_positive_solvation will be removed
20 September 2011
- 23:5823:58, 20 September 2011 diff hist +4 Running DOCK →Running DOCK
- 23:5723:57, 20 September 2011 diff hist −414 Preparing the protein Remove distmap references, add prot2crg.py
8 June 2011
- 06:0606:06, 8 June 2011 diff hist +33 m Preparing the protein No edit summary
- 06:0206:02, 8 June 2011 diff hist +37 Preparing the protein →Modifying the spheres
28 May 2011
- 03:4703:47, 28 May 2011 diff hist +27 Analysing the results →Atomic contributions to the desolvation
- 03:4603:46, 28 May 2011 diff hist −1 m Analysing the results →Atomic contributions to the coulombic energy
- 03:4603:46, 28 May 2011 diff hist +741 Analysing the results Update to the modern way to scoreopt
18 March 2011
- 21:4321:43, 18 March 2011 diff hist +38 Chembl2pdb →GENERATION PROCEDURE
- 21:4221:42, 18 March 2011 diff hist −18 Chembl2pdb →GENERATION PROCEDURE
- 21:4121:41, 18 March 2011 diff hist 0 Chembl2pdb →GENERATION PROCEDURE
- 21:4121:41, 18 March 2011 diff hist +2 Chembl2pdb →GENERATION PROCEDURE
- 21:4121:41, 18 March 2011 diff hist −2,201 Chembl2pdb New simplified generation procedure