CYANA Macro: garant

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)