XEASY Atom List: Difference between revisions
Jump to navigation
Jump to search
(Created page with '<!--WYSIWYG content - do not remove this comment, and never use this identical text in your topics--> == '''Atom List''' == The XEASY atom list is simply a formatted text fil…') |
(No difference)
|
Revision as of 17:09, 10 November 2009
Atom List
The XEASY atom list is simply a formatted text file containing the following columns: atom number, chemical shift, chemical shift error, atom name, and a residue or spin system number (an example is shown below). The atom list is one of the most important files and should be backed up regularly.
- Example of XEASY atom list
... 190 113.905 0.000 N 3 191 8.295 0.000 HN 3 192 58.246 0.000 CA 3 193 4.376 0.000 HA 3 194 63.386 0.000 CB 3 195 3.979 0.000 HB2 3 196 3.893 0.004 HB3 3 197 999.000 0.000 QB 3 199 999.000 0.000 HG 3 200 999.000 0.000 C 3 ...
-- Main.GaohuaLiu - 14 Jun 2007