CYANA Macro: garant: Difference between revisions
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== Parameters == | == Parameters == | ||
; name=''string'': (default: $name or '' | ; name=''string'': (default: $name or ''blank'') | ||
; runs=''integer'': (default: 1) | ; runs=''integer'': (default: 1) | ||
; sequence=''string'': (default: '' | ; sequence=''string'': (default: ''blank'') | ||
; dref=''real'': (default: 4.0) | ; dref=''real'': (default: 4.0) | ||
; accuracy_H=''real'': (default: $max(tolerance(1),tolerance(2))) | ; accuracy_H=''real'': (default: $max(tolerance(1),tolerance(2))) | ||
; accuracy_N=''real'': (default: $tolerance(3)) | ; accuracy_N=''real'': (default: $tolerance(3)) | ||
; accuracy_C=''real'': (default: $tolerance(3)) | ; accuracy_C=''real'': (default: $tolerance(3)) | ||
; calibration=''string'': (default: '' | ; calibration=''string'': (default: ''blank'') | ||
; garant=''string'': (default: garant) | ; garant=''string'': (default: garant) | ||
; assign=''string'': (default: assign) | ; assign=''string'': (default: assign) | ||
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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: | 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 | COSY homonuclear COSY | ||
TOCSY | TOCSY homonuclear TOCSY | ||
NOESY | NOESY homonuclear NOESY | ||
D2OCOSY homonuclear COSY | D2OCOSY homonuclear COSY in D<sub>2</sub>O | ||
D2OTOCSY homonuclear TOCSY | D2OTOCSY homonuclear TOCSY in D<sub>2</sub>O | ||
D2ONOESY homonuclear NOESY | D2ONOESY homonuclear NOESY in D<sub>2</sub>O | ||
C13H1 | C13H1 [<sup>13</sup>C,<sup>1</sup>H]-COSY | ||
N15H1 | N15H1 [<sup>15</sup>N,<sup>1</sup>H]-COSY | ||
N15TOCSY 3D <sup>15</sup>N-correlated [<sup>1</sup>H, <sup>1</sup>H]-TOCSY | N15TOCSY 3D <sup>15</sup>N-correlated [<sup>1</sup>H,<sup>1</sup>H]-TOCSY | ||
RELTOCSY 2D <sup>15</sup>N-correlated [<sup>1</sup>H, <sup>1</sup>H]-TOCSY | RELTOCSY 2D <sup>15</sup>N-correlated [<sup>1</sup>H,<sup>1</sup>H]-TOCSY | ||
N15NOESY 3D <sup>15</sup>N-correlated [<sup>1</sup>H, <sup>1</sup>H]-NOESY | N15NOESY 3D <sup>15</sup>N-correlated [<sup>1</sup>H,<sup>1</sup>H]-NOESY | ||
C13NOESY 3D <sup>13</sup>C-correlated [<sup>1</sup>H, <sup>1</sup>H]-NOESY | C13NOESY 3D <sup>13</sup>C-correlated [<sup>1</sup>H,<sup>1</sup>H]-NOESY | ||
C13NOED2O 3D <sup>13</sup>C-correlated [<sup>1</sup>H, <sup>1</sup>H]-NOESY | C13NOED2O 3D <sup>13</sup>C-correlated [<sup>1</sup>H,<sup>1</sup>H]-NOESY | ||
CCNOESY 4D [<sup>13</sup>C, <sup>13</sup>C]-correlated [<sup>1</sup>H, <sup>1</sup>H]-NOESY | CCNOESY 4D [<sup>13</sup>C,<sup>13</sup>C]-correlated [<sup>1</sup>H,<sup>1</sup>H]-NOESY | ||
CNNOESY 4D [<sup>13</sup>C,<sup>15</sup>N]-correlated [<sup>1</sup>H, <sup>1</sup>H]-NOESY | CNNOESY 4D [<sup>13</sup>C,<sup>15</sup>N]-correlated [<sup>1</sup>H,<sup>1</sup>H]-NOESY | ||
NNNOESY 4D [<sup>15</sup>N, <sup>15</sup>N]-correlated [<sup>1</sup>H, <sup>1</sup>H]-NOESY | NNNOESY 4D [<sup>15</sup>N,<sup>15</sup>N]-correlated [<sup>1</sup>H,<sup>1</sup>H]-NOESY | ||
HNHB | HNHB heteronuclear HNHB experiment | ||
HNHA | HNHA heteronuclear HNHA experiment | ||
HCCH24 HCCH-TOCSY | HCCH24 HCCH-TOCSY | ||
HCCH7 | HCCH7 HCCH-COSY | ||
CCH | CCH CCH-TOCSY | ||
H_CA_NH heteronuclear H(CA)NH experiment | H_CA_NH heteronuclear H(CA)NH experiment | ||
HNCA | HNCA heteronuclear HNCA experiment | ||
HN_CO_CA heteronuclear HN(CO)CA experiment | HN_CO_CA heteronuclear HN(CO)CA experiment | ||
HN_CA_CO heteronuclear HN(CA)CO experiment | HN_CA_CO heteronuclear HN(CA)CO experiment | ||
HNCO | HNCO heteronuclear HNCO experiment | ||
HCACO | HCACO heteronuclear H(CA)CO experiment | ||
HCA_CO_N heteronuclear H(CA)CON experiment | HCA_CO_N heteronuclear H(CA)CON experiment | ||
CBCANH heteronuclear CBCANH experiment | CBCANH heteronuclear CBCANH experiment | ||
CBCACONH heteronuclear CBCA(CO)NH experiment | CBCACONH heteronuclear CBCA(CO)NH experiment | ||
HBHACONH heteronuclear HBHA(CO)NH experiment | HBHACONH heteronuclear HBHA(CO)NH experiment | ||
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HC_CO_NH H(CCO)NH experiment | HC_CO_NH H(CCO)NH experiment | ||
HBCBCGHE HBCBCGHE experiment for SAIL aromatics (Torizawa et al., 2005) | HBCBCGHE HBCBCGHE experiment for SAIL aromatics (Torizawa et al., 2005) | ||
CBCGHE CBCGHE experiment for SAIL aromatics (Torizawa et al., 2005) | CBCGHE CBCGHE experiment for SAIL aromatics (Torizawa et al., 2005) | ||
Latest revision as of 18:23, 12 January 2010
Parameters
- name=string
- (default: $name or blank)
- runs=integer
- (default: 1)
- sequence=string
- (default: blank)
- 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: blank)
- 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)