Macromolecular model building and validation using Coot
Emsley, P.,
Lohkamp, B. and
Cowtan, K.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 17.1,
pp. 443-447
[ doi:10.1107/97809553602060000853 ]
for lead discovery in drug design . Nat. Rev. Drug Discov. 1, 45–54. Google Scholar
Cowtan,
K. (2006). The Buccaneer software for automated model building. 1. Tracing protein chains . Acta Cryst. D 62, 1002–1011. Google Scholar ...
Introduction
Emsley, P.,
Lohkamp, B. and
Cowtan, K.,
International Tables for Crystallography
(2012).
Vol. F,
Section 17.1.1,
pp. 443-443
[ doi:10.1107/97809553602060000853 ]
Cowtan,
K. (2006). The Buccaneer software for automated model building. 1. Tracing protein chains . Acta Cryst. D 62, 1002–1011. Google Scholar
Dauter, Z. (2006). Current state and prospects of macromolecular crystallography . Acta ...
Find ligands
Emsley, P.,
Lohkamp, B. and
Cowtan, K.,
International Tables for Crystallography
(2012).
Vol. F,
Section 17.1.2.1.4,
pp. 444-444
[ doi:10.1107/97809553602060000853 ]
[
more
results from section 17.1.2 in volume F]
Scripting
Emsley, P.,
Lohkamp, B. and
Cowtan, K.,
International Tables for Crystallography
(2012).
Vol. F,
Section 17.1.4,
pp. 446-446
[ doi:10.1107/97809553602060000853 ]
Rotamer analysis
Emsley, P.,
Lohkamp, B. and
Cowtan, K.,
International Tables for Crystallography
(2012).
Vol. F,
Section 17.1.3.4,
pp. 446-446
[ doi:10.1107/97809553602060000853 ]
[
more
results from section 17.1.3 in volume F]
Discussion
Emsley, P.,
Lohkamp, B. and
Cowtan, K.,
International Tables for Crystallography
(2012).
Vol. F,
Section 17.1.5,
pp. 446-446
[ doi:10.1107/97809553602060000853 ]
Phase improvement by iterative density modification
Zhang, K. Y. J.,
Cowtan, K. D. and
Main, P.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 15.1,
pp. 385-400
[ doi:10.1107/97809553602060000847 ]
S., Tsao, J. & Rossmann, M. G. (1992). Ab initio phase determination for spherical viruses: parameter determination for spherical-shell models . Acta Cryst. A 48, 301–312. Google Scholar
Cowtan,
K. D. (1999). Error estimation ...
Histogram matching
Zhang, K. Y. J.,
Cowtan, K. D. and
Main, P.,
International Tables for Crystallography
(2012).
Vol. F,
Section 15.1.2.2,
pp. 388-390
[ doi:10.1107/97809553602060000847 ]
from equations (15.1.2.16) and (15.1.2.19), where This method is adequate for scaling observed structure factors at any resolution.
References
Cowtan,
K. D. & Main, P. (1993). Improvement ...
[
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results from section 15.1.2 in volume F]
The system of nonlinear constraint equations
Zhang, K. Y. J.,
Cowtan, K. D. and
Main, P.,
International Tables for Crystallography
(2012).
Vol. F,
Section 15.1.5.1,
pp. 396-396
[ doi:10.1107/97809553602060000847 ]
[
more
results from section 15.1.5 in volume F]
Resolution extrapolation
Zhang, K. Y. J.,
Cowtan, K. D. and
Main, P.,
International Tables for Crystallography
(2012).
Vol. F,
Section 15.1.4.4,
pp. 395-396
[ doi:10.1107/97809553602060000847 ]
[
more
results from section 15.1.4 in volume F]
