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Prime User Manual - ISP

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iv<br />

Contents<br />

<strong>Prime</strong> 2.1 <strong>User</strong> <strong>Manual</strong><br />

3.2.5 Multiple Templates and Structure Alignment..................................................... 23<br />

3.2.6 Continuing to the Next Step .............................................................................. 25<br />

3.2.7 Saving Runs With Different Templates.............................................................. 25<br />

3.2.8 Error Messages................................................................................................. 25<br />

Chapter 4: Comparative Modeling: Edit Alignment....................................... 27<br />

4.1 The Comparative Modeling Path .......................................................................... 27<br />

4.2 Overview of the Edit Alignment Step................................................................... 27<br />

4.3 Initial and Imported Alignments ........................................................................... 29<br />

4.3.1 Accepting the BLAST/PSI-BLAST Alignment ................................................... 29<br />

4.3.2 Exporting an Alignment..................................................................................... 29<br />

4.3.3 Importing an Alignment..................................................................................... 29<br />

4.4 Secondary Structure Predictions (SSPs)............................................................ 29<br />

4.4.1 Generating SSPs .............................................................................................. 29<br />

4.4.2 Exporting and Importing SSPs.......................................................................... 30<br />

4.4.3 Deleting or Editing an SSP ............................................................................... 31<br />

4.4.4 Resetting SSPs................................................................................................. 31<br />

4.5 Generated and Modified Alignments ................................................................... 31<br />

4.5.1 Running the Align Program............................................................................... 31<br />

4.5.2 Align Program Technical Details ....................................................................... 33<br />

4.5.3 <strong>Manual</strong>ly Editing the Alignment......................................................................... 33<br />

4.5.4 Updating the Step View Table ........................................................................... 34<br />

4.6 Error Messages........................................................................................................ 34<br />

Chapter 5: Comparative Modeling: Build Structure ...................................... 35<br />

5.1 The Build Process ................................................................................................... 35<br />

5.2 Preparing to Build ................................................................................................... 36<br />

5.2.1 Multiple Templates (Set Template Regions)...................................................... 36<br />

5.2.2 Including Ligands and Cofactors....................................................................... 37<br />

5.2.3 Build Options..................................................................................................... 37<br />

5.2.4 Omitting Structural Discontinuities .................................................................... 37

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