Spin ID strings

See manual

4.2.2 Molecule, residue, and spin containers

Structure

1. The molecule ID token beginning with the # character,
2. The residue ID token beginning with the : character,
3. The atom or spin system ID token beginning with the @ character.

The full ID string specification is

#<mol name> :<res id>[, <res id>[, <res id>, ...]] @<atom id>[,<atom id>[, <atom id>, ...]]

Where the token elements are <mol name>, the name of the molecule, <res id>, the residue identifier which can be a number, name, or range of numbers,
<atom id>, the atom or spin system identifier which can be a number, name, or range of numbers.

If one of the tokens is left out then all elements will be assumed to match.
For example if the string does not contain the # character then all molecules will match the string.
If only the molecule ID component is specified, then all spins of the molecule will match.
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

from pipe_control.mol_res_spin import spin_loop

for spin, mol_name, res_num, res_name, spin_id in spin_loop(full_info=True, return_id=True, skip_desel=True):
    print mol_name, res_num, res_name, spin_id

None 5 I :5@N
None 6 S :6@N
None 8 S :8@N
None 9 A :9@N
None 10 L :10@N
None 11 Q :11@N
None 12 D :12@N
None 13 L :13@N
None 14 L :14@N
None 15 R :15@N
None 16 T :16@N
None 17 L :17@N
None 18 K :18@N
None 19 S :19@N
None 21 S :21@N
None 24 Q :24@N
None 25 Q :25@N
None 26 Q :26@N
None 27 Q :27@N
None 28 Q :28@N
None 29 V :29@N
None 30 L :30@N
None 31 N :31@N
None 32 I :32@N
None 33 L :33@N
None 34 K :34@N
None 35 S :35@N
None 36 N :36@N
None 38 Q :38@N
None 39 L :39@N
None 40 M :40@N
None 41 A :41@N
None 42 A :42@N
None 43 F :43@N
None 44 I :44@N
None 45 K :45@N
None 46 Q :46@N
None 48 T :48@N
None 49 A :49@N
None 50 K :50@N
None 51 Y :51@N
None 52 V :52@N
None 53 A :53@N
None 54 N :54@N
None 55 Q :55@N
None 57 G :57@N
None 58 M :58@N
None 59 Q :59@N

Example

deselect.spin(spin_id=':5@N', change_all=False)