Maestro User Manual
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- Bu səhifədəki naviqasiya:
- Contents Schrödinger Software Release 2015-2 x
- 9.7 The ePlayer
- 9.8 Viewing Poses
- 9.10 The Entry List Panel
- Contents Maestro 10.2 User Manual xi
- 10.2 Displaying Measurements in the Workspace
- 10.3 Superimposing and Aligning Structures
- 10.4 Using Atom Sets
- 10.5 Ligand Analysis Tools
- 10.6 Protein Tools
Contents Schrödinger Software Release 2015-2 x 9.6.13
Ranking and Sorting Entries by Rank ........................................................... 214 9.6.14
Recording a Movie from Selected Entries..................................................... 216 9.7 The ePlayer ............................................................................................................. 216 9.7.1 ePlayer Modes ................................................................................................ 217 9.7.2 ePlayer Options............................................................................................... 218 9.8 Viewing Poses ........................................................................................................ 220 9.9 Viewing 2D Structures .......................................................................................... 220 9.9.1 Displaying 2D Structures in the Project Table ................................................. 220 9.9.2 The 2D Viewer Panel ...................................................................................... 221 9.10 The Entry List Panel ............................................................................................ 224 9.11 Entry Properties .................................................................................................. 226 9.11.1 The Stars and Mark Properties..................................................................... 227 9.11.2 The Date Added and Date Modified Properties ............................................ 227 9.11.3 Creating New Properties............................................................................... 228 9.11.3.1 Adding Properties with a Default Value ............................................... 228 9.11.3.2 Adding Properties by Copying ............................................................ 228 9.11.3.3 Calculating Properties from Structural Data ......................................... 228 9.11.3.4 Calculating Properties from Other Properties ...................................... 231 9.11.4 Editing Properties ......................................................................................... 233 9.11.5 Copying Properties ....................................................................................... 233 9.11.6 Merging Properties ....................................................................................... 235 9.11.7 Setting the Number of Decimals and the Notation for a Real Property......... 236 9.11.8 File Name Properties .................................................................................... 236 9.11.9 Renaming Properties .................................................................................... 237 9.11.10 Deleting Properties ..................................................................................... 238 9.11.11 Clearing Property Values ............................................................................ 238 9.11.12 Showing and Hiding Properties .................................................................. 239 9.11.12.1 Using the Properties Menu ............................................................... 239 9.11.12.2 Using the Property Tree .................................................................... 240 9.11.13 Creating and Editing Custom Property Families ......................................... 241 9.11.14 Coloring Table Cells By Property Value ...................................................... 244 9.11.15 Moving, Reordering, and Resizing Property Columns ................................ 246 9.11.16 Exporting and Importing Data ..................................................................... 248 Contents Maestro 10.2 User Manual xi Chapter 10: Tools
............................................................................................. 249 10.2 Displaying Measurements in the Workspace ................................................. 249 10.2.1 Measuring Distances, Angles, Dihedrals, and NMR Coupling ...................... 250 10.2.2 Displaying Nonbonded Interactions .............................................................. 251 10.2.3 Displaying H-H NMR Coupling Constants..................................................... 252 10.2.4 Storing the Results of Measurements........................................................... 253 10.2.5 Defining Dummy Atoms for Measurements .................................................. 254 10.2.6 Positioning and Formatting Measurement Labels......................................... 254 10.3 Superimposing and Aligning Structures ........................................................ 254 10.3.1 The Superposition Panel............................................................................... 255 10.3.2 The Flexible Ligand Alignment Panel............................................................ 257 10.3.3 Aligning Centers of Mass .............................................................................. 259 10.3.4 Aligning Proteins ........................................................................................... 259 10.4 Using Atom Sets .................................................................................................. 259 10.4.1 Creating and Deleting Sets ........................................................................... 260 10.4.2 Selecting Atoms for a Set.............................................................................. 260 10.4.3 Reading and Writing Sets ............................................................................. 261 10.4.4 Selecting Atoms in the Workspace that Match a Set .................................... 261 10.5 Ligand Analysis Tools ........................................................................................ 261 10.5.1 R-Group Analysis.......................................................................................... 261 10.5.2 Scaffold Decomposition ................................................................................ 262 10.6 Protein Tools ........................................................................................................ 265 10.6.1 Assigning Protein Secondary Structure ........................................................ 265 10.6.2 Viewing Reports on Protein Properties......................................................... 265 10.6.3 Protein Reliability Reports ............................................................................ 267 10.6.4 Ramachandran Plots .................................................................................... 270 10.6.5 Energy Profiles of Torsional and Rotamer States ......................................... 272 10.6.6 Ligand Interaction Diagrams ......................................................................... 274 10.6.7 Protein Splicing ............................................................................................. 276 10.6.8 The Multiple Sequence Viewer ..................................................................... 278 Yüklə 8,42 Mb. Dostları ilə paylaş:
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