Index
A
B
C
D
E
F
G
H
I
J
K
L
M
N
O
P
R
S
T
U
V
W
X
Y
Z
Index
A
- Acorn NMR software, 377
- Adams, M. W., 339
- Akke, M., 339, 342, 343
- algorithms
- automated, 14
- scoring, 273
- all-atom method, 107
- amino acid, 253
- type, in assignment, 109
- Anglister, J., 339
- Anthony, J., 340
- Aono, S., 339
- apodization function, 182
- aromatic resonances, 101
- aromatic side chain, 100, 108
- ASCII data file formats, 384
- .asn files, 51
- Assign
- database, 13
- defining a project, 91
- defining spectra, 253, 309
- graphical interface, 14
- library file, 91, 253
- matrices, 91
- optimization methods, 7
- pattern, 97
- peak picking, 94
- sequential assignment, 108
- spin system detection, 97
- two-dimensional simulated annealing, 100
- visualization tools, 14
- assigned resonance list, 10
- assignment
- homonuclear 2D spectra, 8
- individual spin systems, 9
- atom specification, 282
- automated
- prototype pattern detection, 98
- automated spin-system detection, 259, 313
B
- Banks, K. M., 339
- Barkhuijsen, 2
- Barkhuijsen, H., 339
- baseline correction
- algorithms, 70, 192
- automatic, 71, 193
- distortions, 68
- setting fraction, 177
- baseline point entities, 69
- baseline points, 68
- adding, 70, 191
- DC convolution, 71
- defining, 70, 191
- deleting a region, 70, 192
- Bax, 12, 107
- Bax, A., 339, 341, 342, 344
- Bermel, W., 343
- Billeter, 7
- Billeter, M., 339, 340
- Blake, P. R., 339
- Bloch equations, 27
- Boelens, 29
- Boelens, R., 341, 342
- Boucher, 12
- Boucher, W., 339, 340
- Bouee, W. M. M. J., 339
- Boyd, J., 343
- Braun, W., 339
- Bruker Aspect console, 377
- Bruker spectrometer, 67, 185, 381
- Brutscher, B., 342, 343
- Bryant, F. O, 339
- buffers
- accessing, 58
- adjusting, 59
- built-in data filters, 380
- buttons, 127
C
- Campbell-Burk, S. L., 339, 340
- .car files, 251, 307
- carbon chemical shift, 19
- Carpenter, T. A., 341
- Case, 31
- Chazin, W. J., 339, 343
- chemical shift filters, 100
- chemical shift library, 13
- chemical shifts, editing, 272
- chi square values, 194
- chi-squared value, 207
- Chylla, R. A., 340
- clipboard, 106
- clipboard list, 97, 255, 310
- Clubb, R. T., 340
- command mode, changing to, 123
- connectivity, 107
- Constantine, 12
- Constatine, K. L., 340
- contour levels, 162
- contour plot, 138
- control panels, 121
- coordinate information, 299
- coordinates, reading into Felix, 53
- COSY, 5
- Cox, M., 341
- cross peak
- calculating volumes, 233
- model, 226
- volume measurement, 233
- cross peak data
- exporting, 51
- Crothers, D. M., 342
- cubic spline algorithm, 70, 193
- cursors, correlated, 60
D
- data
- adjusting scale, 188
- ASCII file storage, 51
- categories, 51
- conversion software, 377
- exporting, 51
- filters, 56
- modelling, 228
- sharing, 51
- structures, 13
- database
- contents viewer, 126
- editor, 126
- overview, 125
- de Beer, R., 339
- deoxynucleotides, 253
- detection algorithm, 276
- dialog boxes, 121
- Dietrich, 207
- Dietrich, W., 340
- digital filtering of data, 64, 180
- dipolar spin relaxation, 29
- directory structure, xxiv
- displaying
- simultaneous data and molecules, 54
- Döbeli, H., 341
- Dobson, 27, 28, 29
- Dobson, C. M., 343
- Domaille, P. J., 339, 340
- DQF-COSY, 8
- Dreyfuss, G., 344
- Dzakula, Z., 340
E
- Eccles, 8
- Eccleston, E., 339
- Eccles, C., 340
- Edwards, R. G., 343
- Elliot, S. R., 341
- Engels, J. W., 343
- entry boxes, 128
- Ernst, 27, 28, 29
- Ernst, R. R., 340, 341
- ETHERNET transfer of files, 56
- expansion area, 262
- expansion peaks, 15
- exponential linebroadening window function, 65
- exponential multiplication, 181
- exporting data
- NOE restraints to Insight II, 54
- extension loops, 261
F
- Farmer, 11
- Farmer II, B. T., 340, 342
- Feature list, xvii
- Feigon, J., 343
- Felix
- accessing from Insight II, 50
- capabilities, 115
- customizing setup, 363
- data format, 378
- ending a session, 116
- program modules, 116
- running multiple copies, 363
- Felix environment, 363
- felixrc99 file, xxiv
- Ferguson, S. B., 340
- Fesik S., 341, 343
- Fesik, S. W., 341
- FID, extending, 1, 61
- 15N separated TOCSY, 19
- file formats, 55
- file types, 383
- files
- .par, 44, 46
- parameter, 44
- FLATT baseline correction algorithm, 71, 193
- 4D
- methods, 12
- triple resonance experiments, 22
- Fourier integral transform, 67
- four-spin system, 100
- frames
- closing, 125
- Freund, C., 340
- Friedrichs, M., 344
- Friedrichs, M. S., 340
- fuzzy algebra, 106
- fuzzy similarities, 23, 256, 311
G
- Garotta, G., 341
- Gaussian
- linebroadening window function, 66
- Gauss/Lorentz multiplication, 66
- GE spectrometer, 381
- GENET, 377
- Gentz, R., 341
- Geppert, T., 343
- Gershater, C. J., 343
- GE/Nicolet 1X80 spectrophotometers, 377
- gifts, 380
- directory, 377
- Gladden, L. F., 341
- Goldfarb, V., 340
- Gosbach, M., 344
- graphics frames
- features, 124
- layouts, 123
- Greek text, 157
- Griesenger, C., 343
- Griesinger, C., 341
- Gross, 5
- Gross, K. H., 341
- Grzesiek, 11, 12, 107
- Grzesiek, S., 339, 341
- Guerlesquin, F., 342
- Guntert, 71, 193
- Guntert, P., 340, 341
H
- Ha-HN cross peak, 99
- Hajduk, P., 341, 343
- Hamming, 66
- Hamming, R. W., 341
- Hansen, A. P., 341
- Hare, D. R., 339
- Henkin, J., 341
- heteronuclear spin system detection, 19
- Heuer, A., 341
- Hilbert transform, 67
- Holak, T., 340
- homonuclear experiments, 7
- homonuclear 3D spectra, 10
- Howard, J. B., 339
I
- Ikura, M., 342
- individual peaks, integrating, 224
- initialization macro, 365
- init.mac macro, 365
- Insight II coordinate file, 91
- integral segments
- defining and deleting, 76
- saving, 75
- integrals
- adjusting slope and bias, 76
- normalization, 77
- intensity plot, 138
- interspectral tolerances, 263, 264
- IPC facility, 49
- IRMA
- intensities, 53
- IRMA files
- reading and displaying, 53
- iterative assignment by consensus, 109
J
- Jeol Alpha data format, 377
- JEOL spectrometer, 381
- jeol2felix executable, 377
- jump models, 31
K
- Kaiser window function, 66
- Kalbitzer, H. R., 341
- Kaptein, R., 341, 342
- Keeler et al., 27
- Kermit, 377
- keyboard shortcuts, 345
- kinked baselines, 71, 193
- Klee, C. B., 339
- Kleywegt, 10, 108, 109
- Kleywegt, G. J., 341, 342
- Klinowski, J., 341
- Knegtel, R. M. A., 342
- Koning, 29
- Kordel, J., 339, 343
- Kumaresan, 2
- Kumaresan, R., 342
L
- Labhardt, A. M., 341
- Lamerichs, R. M. J. N., 342
- Larmor frequency, 28
- Laue, E. D., 339, 340
- Lawrence, G. M. P., 343
- Legault, 11
- Legault, P., 342
- Linas, M., 341
- line fitting interface, 74, 224
- linear prediction, 1, 61, 184
- algorithm, 1
- Lorentzian broadening, 181
M
- macros
- overview, 125
- sv2d, 45
- sv3d, 46
- Macura, S., 344
- Magnuson, J. K., 339
- Makhoul, 2
- Makhoul, J., 342
- Mandel, A. M., 342
- Marino, 11
- Marino, J. P., 342
- Marion, D., 342, 343
- Markley, J. L., 340, 344
- Massefski, 193, 207
- Massefski et al., 27, 29
- Mazar, A. P., 341
- Meadows, R., 341, 343
- Meadows, R. P., 341
- Medvedeva, 19
- Medvedeva, S., 342
- menu interface, 120
- pointers, 122
- widgets, 127
- methyl rotations, 31
- Metzler, W. F., 344
- minimum number of contacts, 100
- Model, accessing, 53
- Morelle, 7
- Morelle, N., 342
- Mueller, L., 340, 344
- Müller, L., 340, 342
N
- neighbors scores, 109
- Nelson, S. J., 343
- Nettesheim, D. G., 341
- Neumann, M., 340
- Ng, S.-C., 340
- Nikonowicz, E. P., 340
- NMR
- cross peaks in Model, 299
- NMR data, incomplete, 7
- NOE
- calculation, 27, 300
- distance restraints, 54
- matrix, 29
- multi-spin relaxation, 27
- volume restraints, 54
- NOE connectivities, 9
- NOESY, 7, 299
- noise, reducing, 65
- nonlinear least squares optimizations, 227
O
- Olejniczak et al., 29
- Olejniczak, E. T., 341
- 1D data buffers, 58
- 1D spectra, displaying, 57
- operating-system mode, changing to, 123
- optimizer, interrupting, 226
- option menus, 128
- Otting, G., 343
P
- Padilla, A., 342
- Palmer III, A. G., 339, 342, 343
- .par file, 44, 46
- Pardi, A., 340, 342
- Park, J. B., 339
- path name, defining, 120
- patterns
- and residue types, matching, 273
- displaying, 284
- pattern, residue type matching, 23
- pd.rdb file, 253
- peaks
- adjusting parameters, 224
- changing functions, 225
- defining parameters, 73
- entities, 72
- integration of individual, 74
- parameter locks, 225
- setting shape, 225
- Pederson, T. M., 341
- Peterson, R. D., 343
- Petros, A. M., 341
- phase correction, 68
- algorithm, 68
- applying, 190
- phasing, in real time, 186
- picking 1D peaks, 72, 221
- .pks files, 51
- plots
- adjusting parameters, 57
- adjusting scale, 167
- rotating, 140
- translating, 140
- Plückthun, A., 340
- polynomial
- adjusting coefficients, 192
- baseline correction algorithm, 71
- potential neighbor patterns, finding, 24
- .ppm files, 51
- Prestegard, J. H., 342
- Process, 63
- project
- entity, 13
- manipulating, 251, 307
- prototype
- pattern, frequencies, 261
- prototype pattern detection, 14
- prototype patterns, 97, 100
R
- Rance, M., 343
- Redfield, C., 343
- Reid, B. R., 339
- Rejante, M. R., 343
- Ren, H., 339
- residue number, in assignment, 109
- resonance assignments, 5
- resonance experiments, steps, 11
- restraints, exporting to the Insight II environment, 54
- Rexroth, A., 343
- RF pulse, 1
- ring flipping, 31
- Roman Text, 157
- Ross, A., 340
- RPC interface, 49
- .rstrnt files, 51, 54
- Rudel, C. H., 340
- runtime directories, xxv
S
- Samstag, W., 343
- saving data, 56
- Schmidt, P., 343
- Schwalbe, H., 343
- scores, listing, 274, 286
- seed region, 100
- sensitivity, changing, 188
- sequence information, 13
- sequence-specific resonance assignment, 7
- sequential
- assignment strategy, 5
- connectivities, 108
- probability scores, 107
- sequential assignment, 12
- setup
- customizing, 363
- Shuker, S., 343
- Simorre, J.-P., 342, 343
- simulated annealing, 19
- parameters, 109
- sinebell
- window functions, 65
- Skelton, N. J., 339, 343
- Sklenar, 11
- Sklenár, V., 343
- sliders, 127
- Smith, L. J., 343
- Smith, R. A. G., 343
- socket connection, 50
- Sørenson, O. W., 341
- spectra
- extra peaks in, 11
- viewing, 14
- spectrum
- adjusting vertical scale, 167
- appearance after Fourier transformation, 177
- displaying axis, 59
- displaying full, 188
- expanding, 188
- features, calculating separation, 61, 231
- finding data values, 60
- frequency domain commands, 72, 211
- matching synthetic to real, 224
- peak integration of, 74
- phase correcting, 68, 186
- phasing automatically, 190
- phasing with parameter settings, 189
- referencing, 60, 169
- saving, 226
- selecting limits, 141
- setting pivot, 188
- storing information, 75
- spike, eliminating, 177
- spin systems
- delineation, 5
- detection, 99
- displaying, 284
- identifying, 107
- information, 13
- stages, 97
- stack plot, 138
- stacks
- adjusting, 59
- standard deviation, 262
- Starovasnik, M. A., 340
- structure determination of labelled biomacromolecules, 10
- structure of labelled nucleic acids, references, 11
- Summers, M. F., 339
- sv2d macro, 45
- sv3d macro, 46
- symmetrical spectra, 18
- systematic searching, 279
- Szalma, S., 343
T
- 3J dihedral restraints, 54
- 3D
- homonuclear spin system detection algorithm, 16
- triple resonance spectra, 263
- TOCSY, 5, 259, 313
- trapezoidal window function, 67
- triple resonance neighbor finding algorithm, 25
- triple resonance spin system detection algorithms, 20
- Tropp, 31
- Tufts, D. W., 342
- tuning parameters, 261
- 2D
- homonuclear systematic search algorithm, 14
- simulated annealing detection algorithm, 18
- systematic search, 99
- type scores, 109
U
- uninterrupted pathways, 10
- user interface widgets, 127
V
- van Ormondt, D., 339
- Varian
- Unity console, 377
- VXR, 378
- Varian spectra, importing, 44
- Varian spectrometer, 381
- VAX/VMS, 381
- Vuister, G. W., 342
- VXR tapes, 378
W
- Wagner, G., 340, 343
- Walsh, C. T, 340
- Wand, A. J., 343
- Wang, A. C., 339
- Wang, E., 343
- Weisemann, R., 343
- Widmer, H., 343
- window functions
- adjusting parameters, 64, 180
- exponential linebroadening, 65
- Gaussian linebroadening, 66
- Kaiser, 66
- list of, 180
- sinebell, 65
- trapezoidal, 67
- Wittekind, M., 340, 344
- workspaces, 118
- Workstation requirements, xvi
- Wuthrich, 5, 71, 193
- Wuthrich, K., 339, 340, 341, 343, 344
X
- .Xdefaults file, 363
- X-PLOR coordinate file, 91
- Xu, R. X., 341
- X32 console, 377
Y
- Yip, 31
Z
- zero filling, 61
- Zhu, G., 344
- Zolnai,. Z., 344
Last updated March 13, 2000 at 05:41PM Pacific Standard Time.
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reserved.