Open main menu

Changes

Spin ID strings

1,527 bytes added, 21:40, 21 October 2020
m
The spin ID strings are used to identify molecules, residues, and atoms/spin systems in the relax data store.
 
== See manual ==
4.2.2 Molecule, residue, and spin containers
Regular expression can, in some instances, be used to select spins. For example the string
'''@H*''' will select the protons ‘H’, ‘H2’ and ‘H98’.
 
== See current spins ==
<source lang="python">
from pipe_control.mol_res_spin import spin_loop
 
for curspin, mol_name, res_num, res_name, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True):
print curspin.name, curspin.isotope, mol_name, res_num, res_name, spin_id
 
N 15N None 5 I :5@N
N 15N None 6 S :6@N
N 15N None 8 S :8@N
N 15N None 9 A :9@N
N 15N None 10 L :10@N
N 15N None 11 Q :11@N
N 15N None 12 D :12@N
N 15N None 13 L :13@N
N 15N None 14 L :14@N
N 15N None 15 R :15@N
N 15N None 16 T :16@N
N 15N None 17 L :17@N
N 15N None 18 K :18@N
N 15N None 19 S :19@N
N 15N None 21 S :21@N
N 15N None 24 Q :24@N
N 15N None 25 Q :25@N
N 15N None 26 Q :26@N
N 15N None 27 Q :27@N
N 15N None 28 Q :28@N
N 15N None 29 V :29@N
N 15N None 30 L :30@N
N 15N None 31 N :31@N
N 15N None 32 I :32@N
N 15N None 33 L :33@N
N 15N None 34 K :34@N
N 15N None 35 S :35@N
N 15N None 36 N :36@N
N 15N None 38 Q :38@N
N 15N None 39 L :39@N
N 15N None 40 M :40@N
N 15N None 41 A :41@N
N 15N None 42 A :42@N
N 15N None 43 F :43@N
N 15N None 44 I :44@N
N 15N None 45 K :45@N
N 15N None 46 Q :46@N
N 15N None 48 T :48@N
N 15N None 49 A :49@N
N 15N None 50 K :50@N
N 15N None 51 Y :51@N
N 15N None 52 V :52@N
N 15N None 53 A :53@N
N 15N None 54 N :54@N
N 15N None 55 Q :55@N
N 15N None 57 G :57@N
N 15N None 58 M :58@N
N 15N None 59 Q :59@N
</source>
== Example ==
deselect.spin(spin_id=':5@N', change_all=False)
 
[[Category:Relax]]
Trusted, Bureaucrats
4,223

edits