Welcome to wiki_aE’s documentation!

Some words to prove that git is working

Contents:

• User Guide
  • Basics
  • Basics: Windows computer specifics
  • Install on BlueCrystal3
  • Run on BlueCrystal3
  • Install on Grendel
  • Run on Grendel
  • Miscellaneous
  • PANIC: NOEs method to work in tandem with auto-ENRICH
  • FAQ
• Interpreting Gaussian
  • Failed calculations
  • Common errors
  • Interpretation of com files
• Interpreting BlueCrystal
• Scripts
  • Details on each script in auto-ENRICH
  • Details on each script in NMR processing
• ENRICH
  • Theoretical basis for calculating NMR properties
  • Averaging for equivalency
• Concept

Indices and tables

• Index
• Module Index
• Search Page