BuildDatcol

• Introduction
  
• How it works
  
• Invocation
  
• Tips and Tricks
  

Introduction

How it works

1. You specify rmatfile(s), resolution limits, box dimensions...
2. Creates datcol.vic datcolsetup.vic datcols01f.vic

Invocation

• You enter a name. Defaults to datcol.
  All files related to this process of boxfile creation will use name as prefix.
• You enter the name of a rmatfile.
• You may enter more rmatfiles.
• You enter the resolution limits. For proteins the units are Angströms, otherwise the resolution is set in degrees (Theta).
• You enter the boxsize in mm
• You enter the number of frames per reflection
• You enter the maximum duration
• You enter the minimum number of reflections in one boxfile
• You specify whether the boxfiles should be compressed or not.
• You specify the display interval of images
• The program will create the following files
  • datcolsetup.vic
    This file contains global settings used for all scans
  • datcols01f.vic
    This script creates the boxfiles for scan s01f.
  • datcols02f.vic
    This script creates the boxfiles for scan s02f.
  • .......
  • datcol.vic
    This script will execute datcols01f.vic, datcols02f.vic.....

datcol.vic
  datcols01f.vic
    datcolsetup.vic
  datcols02f.vic
    datcolsetup.vic

Tips and Tricks

1. If you invoke buildatcol again, the contents of datcolsetup.vic will be used as defaults.
2. You may create scandependent scripts. These scripts will be invoked at the appropriate time. The full sequence of scripts then becomes
   

   datcol.vic
     datcols01f.vic
       preref_s01f.vic
       postref_s01f.vic
       read s01f0001
       datcolsetup.vic
       datcols01fsetup.vic
     datcols02f.vic
       preref_s02f.vic
       postref_s02f.vic
       read s02f0001
       datcolsetup.vic
       datcols02fsetup.vic
   

   
   You may leave out these extra scripts. They are only invoked if they exist.