Symbols and parameters
Brunger, A. T.,
Adams, P. D.,
DeLano, W. L.,
Gros, P.,
Grosse-Kunstleve, R. W.,
Jiang, J.-S.,
Pannu, N. S.,
Read, R. J.,
Rice, L. M. and
Simonson, T.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.6.3,
pp. 513-513
[ doi:10.1107/97809553602060000860 ]
is substituted by its
content. Symbol substitution of portions of the compound names (e.g. `&crystal_lattice.unit_cell.$para') allows one to carry out conditional and iterative operations on data structures, such as matrix multiplication ...
Analysis of experimental data
Adams, P.D.,
Afonine, P.V.,
Bunkóczi, G.,
Chen, V.B.,
Davis, I.W.,
Echols, N.,
Headd, J.J.,
Hung, L.-W.,
Kapral, G.J.,
Grosse-Kunstleve, R.W.,
McCoy, A.J.,
Moriarty, N.W.,
Oeffner, R.,
Read, R.J.,
Richardson, D.C.,
Richardson, J.S.,
Terwilliger, T.C. and
Zwart, P.H.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.11.2,
pp. 540-540
[ doi:10.1107/97809553602060000865 ]
P. H. (2005). Anomalous signal indicators in protein crystallography . Acta Cryst.
D 61, 1437–1448. Google Scholar
Zwart,
P. H., Grosse-Kunstleve, R. W. &
Adams,
P.
D. (2005). Xtriage and Fest: automatic assessment of X-ray data ...
CNS, a program system for structure-determination and refinement
Brunger, A. T.,
Adams, P. D.,
DeLano, W. L.,
Gros, P.,
Grosse-Kunstleve, R. W.,
Jiang, J.-S.,
Pannu, N. S.,
Read, R. J.,
Rice, L. M. and
Simonson, T.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 18.6,
pp. 512-519
[ doi:10.1107/97809553602060000860 ]
References
Adams,
P.
D., Pannu, N. S., Read, R. J. & Brünger, A. T. (1997). Cross-validated maximum likelihood enhances crystallographic simulated annealing refinement. Proc. Natl Acad. Sci. USA, 94, 5018–5023. Google Scholar ...
PHENIX: a comprehensive Python-based system for macromolecular structure solution
Adams, P.D.,
Afonine, P.V.,
Bunkóczi, G.,
Chen, V.B.,
Davis, I.W.,
Echols, N.,
Headd, J.J.,
Hung, L.-W.,
Kapral, G.J.,
Grosse-Kunstleve, R.W.,
McCoy, A.J.,
Moriarty, N.W.,
Oeffner, R.,
Read, R.J.,
Richardson, D.C.,
Richardson, J.S.,
Terwilliger, T.C. and
Zwart, P.H.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 18.11,
pp. 539-547
[ doi:10.1107/97809553602060000865 ]
(2003). Building hybrid systems with Boost.Python . C/C++ Users J. 21, 29–36. Google Scholar
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P.
D., Afonine,
P. V., Bunkóczi, G., Chen, V. B., Davis, I. W., Echols, N., Headd, J. J., Hung, L.-W., Kapral, G. J., Grosse-Kunstleve ...
