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Spin ID strings

1,995 bytes added, 21:40, 21 October 2020
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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
#<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, <br>'''<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. <br>For example if the string does not contain the '''#''' character then all molecules will match the string. <br>If only the molecule ID component is specified, then all spins of the molecule will match. <br>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@NN 15N None 6 S :6@NN 15N None 8 S :8@NN 15N None 9 A :9@NN 15N None 10 L :10@NN 15N None 11 Q :11@NN 15N None 12 D :12@NN 15N None 13 L :13@NN 15N None 14 L :14@NN 15N None 15 R :15@NN 15N None 16 T :16@NN 15N None 17 L :17@NN 15N None 18 K :18@NN 15N None 19 S :19@NN 15N None 21 S :21@NN 15N None 24 Q :24@NN 15N None 25 Q :25@NN 15N None 26 Q :26@NN 15N None 27 Q :27@NN 15N None 28 Q :28@NN 15N None 29 V :29@NN 15N None 30 L :30@NN 15N None 31 N :31@NN 15N None 32 I :32@NN 15N None 33 L :33@NN 15N None 34 K :34@NN 15N None 35 S :35@NN 15N None 36 N :36@NN 15N None 38 Q :38@NN 15N None 39 L :39@NN 15N None 40 M :40@NN 15N None 41 A :41@NN 15N None 42 A :42@NN 15N None 43 F :43@NN 15N None 44 I :44@NN 15N None 45 K :45@NN 15N None 46 Q :46@NN 15N None 48 T :48@NN 15N None 49 A :49@NN 15N None 50 K :50@NN 15N None 51 Y :51@NN 15N None 52 V :52@NN 15N None 53 A :53@NN 15N None 54 N :54@NN 15N None 55 Q :55@NN 15N None 57 G :57@NN 15N None 58 M :58@NN 15N None 59 Q :59@N</source> == Example == deselect.spin(spin_id=':5@N', change_all=False) [[Category:Relax]]
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