Auto-relaxation and I(0) values: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
The rho files are used to enter auto-relaxation and I(0) values | The rho files are used to enter auto-relaxation (rho) and I(0) values | ||
into the program CYANA. For each spin there is a | into the program CYANA. For each spin there is a | ||
line with the following data: residue number, residue name and atom | line with the following data: residue number, residue name and atom | ||
name, | name, rho (in seconds [s]) and the I(0) value; | ||
the flag -1.0000 is used for keeping the fitted value. | |||
Revision as of 13:33, 17 January 2019
The rho files are used to enter auto-relaxation (rho) and I(0) values into the program CYANA. For each spin there is a line with the following data: residue number, residue name and atom name, rho (in seconds [s]) and the I(0) value; the flag -1.0000 is used for keeping the fitted value.
# Specifying both auto-relaxation (rho) and I(0) # Assignment, auto-relaxation, I(0) 5 SER HA 3.7067 752840293.0085 6 LYS HD2 3.5576 1260683444.4590 6 LYS QE 2.6034 2487355750.6458 7 LEU H 5.0151 438936421.8380 7 LEU HA 6.2201 224628629.6022 7 LEU HB2 8.2344 164972110.8104
# Specifying rho only # Assignment, auto-relaxation, I(0)) 5 SER HA 3.7067 -1.0000 6 LYS HD2 3.5576 -1.0000 6 LYS QE 2.6034 -1.0000 7 LEU H 5.0151 -1.0000 7 LEU HA 6.2201 -1.0000 7 LEU HB2 8.2344 -1.0000
# Specifying I(0) only # Assignment, auto-relaxation, I(0) 5 SER HA -1.0000 752840293.0085 6 LYS HD2 -1.0000 1260683444.4590 6 LYS QE -1.0000 2487355750.6458 7 LEU H -1.0000 438936421.8380 7 LEU HA -1.0000 224628629.6022 7 LEU HB2 -1.0000 164972110.8104