CYANA Macro: garant

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Parameters

name=string
(default: $name or none)
runs=integer
(default: 1)
sequence=string
(default: none)
dref=real
(default: 4.0)
accuracy_H=real
(default: $max(tolerance(1),tolerance(2)))
accuracy_N=real
(default: $tolerance(3))
accuracy_C=real
(default: $tolerance(3))
calibration=string
(default: none)
garant=string
(default: garant)
assign=string
(default: assign)

Description

Performs automated resonance assignment using the external program GARANT (Bartels et al., 1996; Bartels et al., 1997). Multiple runs of the program Garant with identical input data but different random number generator seed values can be executed. The input peak lists must have the name of the corresponding spectrum types:

COSY 	   homonuclear COSY
TOCSY 	   homonuclear TOCSY
NOESY 	   homonuclear NOESY
D2OCOSY   homonuclear COSY  in D2O
D2OTOCSY  homonuclear TOCSY  in D2O
D2ONOESY  homonuclear NOESY  in D2O
C13H1	   [13C, 1H]-COSY	
N15H1	   [15N, 1H]-COSY	
N15TOCSY  3D 15N-correlated [1H, 1H]-TOCSY
RELTOCSY  2D 15N-correlated [1H, 1H]-TOCSY	
N15NOESY  3D 15N-correlated [1H, 1H]-NOESY
C13NOESY  3D 13C-correlated [1H, 1H]-NOESY
C13NOED2O 3D 13C-correlated [1H, 1H]-NOESY
CCNOESY   4D [13C, 13C]-correlated [1H, 1H]-NOESY
CNNOESY   4D [13C, 15N]-correlated [1H, 1H]-NOESY
NNNOESY   4D [15N, 15N]-correlated [1H, 1H]-NOESY
HNHB	   heteronuclear HNHB experiment
HNHA	   heteronuclear HNHA experiment
HCCH24	   HCCH-TOCSY
HCCH7	   HCCH-COSY
CCH	   CCH-TOCSY 
H_CA_NH   heteronuclear H(CA)NH experiment
HNCA	   heteronuclear HNCA experiment
HN_CO_CA  heteronuclear HN(CO)CA experiment
HN_CA_CO  heteronuclear HN(CA)CO experiment
HNCO	   heteronuclear HNCO experiment
HCACO	   heteronuclear H(CA)CO experiment
HCA_CO_N  heteronuclear H(CA)CON experiment
CBCANH	   heteronuclear CBCANH experiment
CBCACONH  heteronuclear CBCA(CO)NH experiment
HBHACONH  heteronuclear HBHA(CO)NH experiment
C_CO_NH   C(CCO)NH experiment
HC_CO_NH  H(CCO)NH experiment
HBCBCGHE  HBCBCGHE experiment for SAIL aromatics (Torizawa et al., 2005)
CBCGHE	   CBCGHE experiment for SAIL aromatics (Torizawa et al., 2005)