User contributions for Guentert
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9 February 2009
- 16:0616:06, 9 February 2009 diff hist +6,569 N Coordinate generation New page: == Tree structure == Structure calculations with the program CYANA work in torsion angle space. Since the degrees of freedom are torsion angles but distance restraints are defined by the ...
- 15:5815:58, 9 February 2009 diff hist +2 Torsion angle dynamics →Potential energy = target function
- 15:5715:57, 9 February 2009 diff hist +2 Torsion angle dynamics →Leap-frog algorithm
- 15:5615:56, 9 February 2009 diff hist +25 Torsion angle dynamics →Equations of motion
- 15:3015:30, 9 February 2009 diff hist +13 Torsion angle dynamics →Acceleration calculation
- 15:2915:29, 9 February 2009 diff hist +12 Torsion angle dynamics →Time step
- 15:2815:28, 9 February 2009 diff hist +83 Torsion angle dynamics →Time step
- 15:2615:26, 9 February 2009 diff hist +212 Torsion angle dynamics →Acceleration calculation
- 15:2215:22, 9 February 2009 diff hist +112 Torsion angle dynamics →Time step
- 15:1915:19, 9 February 2009 diff hist +56 Torsion angle dynamics →Time step
- 15:1915:19, 9 February 2009 diff hist 0 File:Schedule.jpg uploaded a new version of "Image:Schedule.jpg": Simulated annealing schedule current
- 15:1815:18, 9 February 2009 diff hist +12 N File:Schedule.jpg TAD schedule
- 15:0215:02, 9 February 2009 diff hist +34 Torsion angle dynamics →Time step
7 February 2009
- 01:1001:10, 7 February 2009 diff hist −8 Torsion angle dynamics →Time step
- 01:1001:10, 7 February 2009 diff hist −6 Torsion angle dynamics →Time step
- 00:5000:50, 7 February 2009 diff hist 0 Torsion angle dynamics →Equations of motion
- 00:4700:47, 7 February 2009 diff hist +39 Torsion angle dynamics →Potential energy = target function
- 00:4500:45, 7 February 2009 diff hist +8 Torsion angle dynamics →NMR structure calculation versus molecular dynamics simulation
- 00:4200:42, 7 February 2009 diff hist −1 Torsion angle dynamics →Equations of motion
- 00:4200:42, 7 February 2009 diff hist +39 Torsion angle dynamics →Equations of motion
- 00:4000:40, 7 February 2009 diff hist −12 Torsion angle dynamics →Tree structure
- 00:3900:39, 7 February 2009 diff hist 0 File:TreeStructureRigidBodies.jpg uploaded a new version of "Image:TreeStructureRigidBodies.jpg": Tree structure of rigid bodies current
- 00:3800:38, 7 February 2009 diff hist +20 N File:CPUtimeVsSize.jpg CPU time versus size current
- 00:1000:10, 7 February 2009 diff hist +140 Torsion angle dynamics →Tree structure
6 February 2009
- 23:5223:52, 6 February 2009 diff hist 0 Torsion angle dynamics →Tree structure
- 23:5223:52, 6 February 2009 diff hist +14 Torsion angle dynamics →Tree structure
- 23:5023:50, 6 February 2009 diff hist +22 Torsion angle dynamics →Equations of motion
- 23:4923:49, 6 February 2009 diff hist +22 Torsion angle dynamics →Equations of motion
- 23:4623:46, 6 February 2009 diff hist −6 Torsion angle dynamics →Tree structure
- 23:4523:45, 6 February 2009 diff hist −2 Torsion angle dynamics →Tree structure
- 23:4523:45, 6 February 2009 diff hist −9 Torsion angle dynamics →Tree structure
- 23:4223:42, 6 February 2009 diff hist +147 Torsion angle dynamics →Tree structure
- 19:4819:48, 6 February 2009 diff hist +75 Torsion angle dynamics →Tree structure
- 19:3819:38, 6 February 2009 diff hist +85 Torsion angle dynamics →Tree structure
- 19:3719:37, 6 February 2009 diff hist +2 Torsion angle dynamics →Tree structure
- 19:3419:34, 6 February 2009 diff hist 0 Torsion angle dynamics →Tree structure
- 19:3419:34, 6 February 2009 diff hist −7 Torsion angle dynamics →Tree structure
- 19:3219:32, 6 February 2009 diff hist +11 Torsion angle dynamics →Tree structure
- 19:3119:31, 6 February 2009 diff hist +38 Torsion angle dynamics →Tree structure
- 19:3019:30, 6 February 2009 diff hist +30 N File:TreeStructureRigidBodies.jpg Tree structure of rigid bodies
- 19:2919:29, 6 February 2009 diff hist +2 Torsion angle dynamics →Kinetic energy
- 19:2319:23, 6 February 2009 diff hist −124 Torsion angle dynamics No edit summary
- 18:1718:17, 6 February 2009 diff hist +16 Torsion angle dynamics →References
- 18:1518:15, 6 February 2009 diff hist +1 Torsion angle dynamics No edit summary
- 15:0515:05, 6 February 2009 diff hist +39,764 N Torsion angle dynamics New page: == Introduction == === Torsion angle dynamics versus other structure calculation algorithms == The structure calculation algorithm in CYANA is based on the idea of simulated annealing (K...
- 15:0115:01, 6 February 2009 diff hist +155 CYANA 3.0 Reference Manual →Input files
- 00:5800:58, 6 February 2009 diff hist +2 CYANA Command: write upl →Ambiguous distance restraints
- 00:5800:58, 6 February 2009 diff hist −14 CYANA Command: write upl →Ambiguous distance restraints
- 00:5600:56, 6 February 2009 diff hist −4 CYANA Command: write upl →Ambiguous distance restraints
- 00:5600:56, 6 February 2009 diff hist +18 CYANA Command: write upl →Ambiguous distance restraints
- 00:5500:55, 6 February 2009 diff hist +138 CYANA Command: write upl →Ambiguous distance restraints
- 00:5300:53, 6 February 2009 diff hist +236 CYANA Command: write upl →Ambiguous distance restraints
- 00:4700:47, 6 February 2009 diff hist +4 CYANA Command: write upl →Description
- 00:4700:47, 6 February 2009 diff hist +63 CYANA Command: write upl →Description
- 00:4500:45, 6 February 2009 diff hist +4 CYANA Command: write upl →Description
- 00:4500:45, 6 February 2009 diff hist +135 CYANA Command: write upl →Description
- 00:4200:42, 6 February 2009 diff hist +17 CYANA Command: write upl →Description
- 00:4200:42, 6 February 2009 diff hist −7 CYANA Command: write upl →Description
- 00:4100:41, 6 February 2009 diff hist +7 CYANA Command: write upl →Description
- 00:3900:39, 6 February 2009 diff hist +16 CYANA Command: write upl →Description
- 00:3800:38, 6 February 2009 diff hist −2 CYANA Command: write upl →Description
- 00:3700:37, 6 February 2009 diff hist +806 CYANA Command: write upl No edit summary
4 February 2009
- 00:1200:12, 4 February 2009 diff hist +2 CYANA Command: write aco →Parameters current
- 00:1100:11, 4 February 2009 diff hist +499 CYANA Command: write aco No edit summary
- 00:0800:08, 4 February 2009 diff hist −4 CYANA Command: write aco →Parameters
- 00:0700:07, 4 February 2009 diff hist −10 CYANA Command: write aco →Parameters
- 00:0700:07, 4 February 2009 diff hist 0 CYANA Command: write aco →Parameters
- 00:0600:06, 4 February 2009 diff hist +12 CYANA Command: write aco →Parameters
- 00:0600:06, 4 February 2009 diff hist 0 CYANA Command: write aco →Parameters
- 00:0600:06, 4 February 2009 diff hist +3 CYANA Command: write aco →Parameters
- 00:0500:05, 4 February 2009 diff hist +2 CYANA Command: write aco No edit summary
- 00:0400:04, 4 February 2009 diff hist +8 CYANA Command: write aco →Description
- 00:0300:03, 4 February 2009 diff hist −2 CYANA Command: write aco →Description
- 00:0300:03, 4 February 2009 diff hist −1,130 CYANA Command: write aco No edit summary
- 00:0000:00, 4 February 2009 diff hist +1,969 CYANA Command: write aco No edit summary
3 February 2009
- 23:5323:53, 3 February 2009 diff hist −2 CYANA Command: write upl →Parameters
- 23:5223:52, 3 February 2009 diff hist +1,127 CYANA Command: write lol No edit summary
- 23:4723:47, 3 February 2009 diff hist −8 CYANA Command: write seq →Description
- 23:4723:47, 3 February 2009 diff hist −8 CYANA Command: write upl →Description
- 23:4623:46, 3 February 2009 diff hist 0 CYANA Command: write upl →Description
- 23:4623:46, 3 February 2009 diff hist −558 CYANA Command: write upl No edit summary
- 23:4523:45, 3 February 2009 diff hist −25 CYANA Command: write upl →Parameters
- 23:4423:44, 3 February 2009 diff hist +386 CYANA Command: write upl No edit summary
- 23:4123:41, 3 February 2009 diff hist +43 CYANA Command: write upl No edit summary
- 23:4023:40, 3 February 2009 diff hist +488 CYANA Command: write upl No edit summary
- 23:3623:36, 3 February 2009 diff hist −2 CYANA Command: write upl →Description
- 23:3523:35, 3 February 2009 diff hist +804 CYANA Command: write upl No edit summary
- 23:3323:33, 3 February 2009 diff hist +2 CYANA Command: write seq →Description
- 23:3223:32, 3 February 2009 diff hist +60 CYANA Command: write seq No edit summary
- 23:3123:31, 3 February 2009 diff hist −17 CYANA Command: write seq →Description
- 23:2923:29, 3 February 2009 diff hist −13 CYANA Command: write seq →Description
- 23:2823:28, 3 February 2009 diff hist +1 CYANA Command: write seq →Description
- 23:2723:27, 3 February 2009 diff hist +191 CYANA Command: write seq →Description
- 23:2323:23, 3 February 2009 diff hist +125 CYANA Command: write seq →Parameters
- 23:2123:21, 3 February 2009 diff hist +141 CYANA Command: write seq No edit summary
- 23:1923:19, 3 February 2009 diff hist +2 CYANA Command: write seq No edit summary
- 23:1823:18, 3 February 2009 diff hist +42 CYANA Command: write seq →Description
- 23:1623:16, 3 February 2009 diff hist −7 CYANA 3.0 Reference Manual →Input file formats
- 23:1523:15, 3 February 2009 diff hist +622 CYANA 3.0 Reference Manual →Selections
- 23:1223:12, 3 February 2009 diff hist +127 CYANA Command: write seq No edit summary