Group: Stressosome - with tag xtal_software [62 articles] Export Sort

Recent papers posted by members of the Stressosome group with tag xtal_software

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	Model building of disulfide bonds in proteins with known three-dimensional structure. [My Copy] Protein Eng, Vol. 2, No. 2. (July 1988), pp. 119-125. by B. Hazes, B. W. Dijkstra posted to xtal_software structural_bioinformatics by jwm to the group Stressosome on 2007-09-14 13:19:58 as along with 1 group Radiation_Damage
	Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them? [My Copy] Acta Crystallographica Section D Biological Crystallography by Jaskolski posted to xtal_software protein_structure_refinement by jwm to the group Stressosome on 2007-09-12 10:21:00 as along with 1 group Radiation_Damage
	Structure validation by Calpha geometry: &phis;,psi and Cbeta deviation [My Copy] Proteins: Structure, Function, and Genetics, Vol. 50, No. 3. (15 February 2003), pp. 437-450. by S. C. Lovell, I. W. Davis, W. B. Arendall, et al.P. I. de Bakker, J. M. Word, M. G. Prisant, J. S. Richardson, D. C. Richardson posted to xtal_software structure_validation by jwm to the group Stressosome on 2007-09-06 17:07:20 as along with 9 people and 1 group Diego_Prada bmduggan aqeel robert dgront xiaobeizhao martainn mijam pavanghatty Radiation_Damage
	Shape complementarity at protein/protein interfaces. [My Copy] Journal of molecular biology, Vol. 234, No. 4. (20 December 1993), pp. 946-950. by M. C. Lawrence, P. M. Colman posted to xtal_software xtals_methods xtal_methods structural_bioinformatics protein_docking docking ccp4 by jwm to the group Stressosome on 2007-08-07 13:35:44 as along with 3 people and 1 group qluo higueruelo kintoki Radiation_Damage
	Modeling shape and topology of low-resolution density maps of biological macromolecules. [My Copy] Biophys J, Vol. 83, No. 2. (August 2002), pp. 619-632. by P. A. De-Alarcón, A. Pascual-Montano, A. Gupta, J. M. Carazo posted to xtal_software xtal_methods skeletonization model_building by jwm to the group Stressosome on 2007-08-06 17:15:33 as along with 1 group Radiation_Damage
	An improved algorithm to locate critical points in a 3D scalar field as implemented in the program MORPHY. [My Copy] J Comput Chem, Vol. 24, No. 4. (March 2003), pp. 437-442. by N. O. Malcolm, P. L. Popelier posted to xtal_software xtal_methods skeletonization model_building by jwm to the group Stressosome on 2007-08-06 16:59:40 as along with 1 group Radiation_Damage
	Core tracing: depicting connections between features in electron density. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 50, No. Pt 5. (1 September 1994), pp. 695-708. by S. M. Swanson posted to xtal_software xtal_methods skeletonization model_building by jwm to the group Stressosome on 2007-08-06 16:55:56 as along with 1 group Radiation_Damage
	Phaser crystallographic software [My Copy] Journal of Applied Journal of Applied Crystallography, Vol. 40 (2007), pp. 658-674. by Airlie J. Mccoy, Ralf W. Grosse-Kunstleve, Paul D. Adams, Martyn D. Winn, Laurent C. Storoni, Randy J. Read posted to xtal_software xtal_methods molecular_replacement by jwm to the group Stressosome on 2007-08-03 14:14:35 as along with 1 group Radiation_Damage
	Scaling and assessment of data quality [My Copy] Acta Crystallographica Section D: Biological Crystallography, Vol. 62, No. 1. (01 January 2006), pp. 72-82. by Evans, P. posted to xtal_software xtal_methods by jwm to the group Stressosome on 2007-07-10 09:35:18 as along with 1 group Radiation_Damage
	The Clipper C++ libraries for X-ray crystallography [My Copy] IUCr Computing Commission Newsletter, Vol. 2 (2003), pp. 4-9. by K. Cowtan posted to xtal_software xtal_methods by jwm to the group Stressosome on 2007-06-19 15:29:37 as along with 1 group Radiation_Damage
	Model bias in macromolecular crystal structures [My Copy] Acta Cryst., Vol. A48 (1992), pp. 851-858. by A. Hodel, S. H. Kim, A. T. Brünger posted to xtals_methods xtal_software xtal_refinement xtal_model_building by jwm to the group Stressosome on 2007-05-18 16:52:21 as along with 1 group Radiation_Damage
	The PyMOL Molecular Graphics System [My Copy] (2002) by W. L. Delano posted to xtal_software pymol by jwm to the group Stressosome on 2007-03-25 18:42:45 as along with 1 group Radiation_Damage
	ElNemo: a normal mode web server for protein movement analysis and the generation of templates for molecular replacement [My Copy] Nucl. Acids Res., Vol. 32, No. suppl_2. (1 July 2004), pp. W610-614. by Karsten Suhre, Yves-Henri Sanejouand posted to xtal_software xtal_refinement xtal_methods web_server by jwm to the group Stressosome on 2007-01-19 16:19:23 as along with 5 people and 1 group sanejouand BragilMassoud apaydin choonpeng martainn Radiation_Damage
	Considerations for the refinement of low-resolution crystal structures [My Copy] Acta Crystallographica Section D, Vol. 62, No. 8. (01 Aug 2006), pp. 923-932. by Byron DeLaBarre, Axel T. Brunger posted to xtal_software xtal_refinement xtal_methods by jwm to the group Stressosome on 2007-01-19 11:51:40 as along with 1 group Radiation_Damage
	Toward the structural genomics of complexes: crystal structure of a PE/PPE protein complex from Mycobacterium tuberculosis. [My Copy] Proc Natl Acad Sci U S A, Vol. 103, No. 21. (23 May 2006), pp. 8060-8065. by M. Strong, M. R. Sawaya, S. Wang, M. Phillips, D. Cascio, D. Eisenberg posted to xtal_methods xtal_software by jwm to the group Stressosome on 2006-10-18 15:46:45 as along with 1 group Radiation_Damage
	Substructure solution with SHELXD. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 58, No. Pt 10 Pt 2. (October 2002), pp. 1772-1779. by T. R. Schneider, G. M. Sheldrick posted to experimental_phasing phasing shelxd xtal_methods xtal_software by jwm to the group Stressosome on 2006-10-03 15:11:07 as along with 1 person and 1 group robert Radiation_Damage
	SITCOM: a program for comparing sites in macromolecular substructures [My Copy] Journal of Applied Crystallography, Vol. 39, No. 4. (2006), pp. 618-619. by F. Dall'antonia, T. R. Schneider posted to experimental_phasing phasing xtal_anomalous xtal_methods xtal_software by jwm to the group Stressosome on 2006-09-29 16:22:18 as along with 1 group Radiation_Damage
	Likelihood-enhanced fast translation functions [My Copy] Acta Crystallographica Section D: Biological Crystallography, Vol. 61, No. 4. (01 April 2005), pp. 458-464. by A. J. Mccoy, R. W. Grosse-Kunstleve, L. C. Storoni, R. J. Read posted to ccp4 ccp4_software molecular_replacement phaser xtal_methods xtal_software by jwm to the group Stressosome on 2006-09-22 16:43:27 as along with 1 group Radiation_Damage
	SFTOOLS [My Copy] by B. Hazes posted to ccp4 ccp4_software xtal_software by jwm to the group Stressosome on 2006-09-22 16:40:54 as along with 1 group Radiation_Damage
	A procedure for detection and quantitation of cavity volumes proteins. Application to measure the strength of the hydrophobic driving force in protein folding. [My Copy] J Biol Chem, Vol. 277, No. 35. (30 August 2002), pp. 31345-31353. by S. Chakravarty, A. Bhinge, R. Varadarajan posted to structural_bioinformatics xtal_methods xtal_software by jwm to the group Stressosome on 2006-09-06 17:33:17 as along with 1 person and 1 group siebertm Radiation_Damage
	Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation1 [My Copy] Journal of Molecular Biology, Vol. 285, No. 4. (29 January 1999), pp. 1735-1747. by J.Michael Word,, Simon .. Lovell,, Jane .. Richardson,, David .. Richardson, posted to xtal_structure xtal_software xtal_model_building structural_bioinformatics by jwm to the group Stressosome on 2006-09-06 15:59:50 as along with 5 people and 1 group ckmyo dfgreen kaarsinogen j3xucite blackbart Radiation_Damage
	Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques. [My Copy] Proc Natl Acad Sci U S A, Vol. 89, No. 6. (15 March 1992), pp. 2195-2199. by E. Katchalski-Katzir, I. Shariv, M. Eisenstein, A. A. Friesem, C. Aflalo, I. A. Vakser posted to protein_docking structural_bioinformatics xtal_methods xtal_software by jwm to the group Stressosome on 2006-07-08 11:47:27 as along with 9 people and 1 group babakap tjimenez chad_davis ima j3xucite kazemi Ema LamBras timg Radiation_Damage
	Maximum-Likelihood Heavy-Atom Parameter Refinement for Multiple Isomorphous Replacement and Multiwavelength Anomalous Diffraction Methods. [My Copy] Methods in Enzymology, Vol. 276 (1997), pp. 472-494. by Eric Fortelle, G. Bricogne edited by C. W. Carter, R. M. Sweet posted to phasing xtal_methods xtal_software by jwm to the group Stressosome on 2006-04-17 14:23:53 as along with 1 group Radiation_Damage
	Fast Fourier feature recognition. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 57, No. Pt 10. (October 2001), pp. 1435-1444. by K. Cowtan posted to xtal_software xtal_model_building xtal_methods by jwm to the group Stressosome on 2006-04-17 14:20:00 as along with 1 group Radiation_Damage
	TLSMD web server for the generation of multi-group TLS models [My Copy] Journal of Applied Crystallography, Vol. 39 (2006), pp. 109-111. by J. Painter, E. A. Merritt posted to xtal_software xtal_refinement xtal_model_building xtal_methods by jwm to the group Stressosome on 2006-02-17 17:26:11 as along with 1 group Radiation_Damage
	The penultimate rotamer library. [My Copy] Proteins, Vol. 40, No. 3. (15 August 2000), pp. 389-408. by S. C. Lovell, J. M. Word, J. S. Richardson, D. C. Richardson posted to xtal_software xtal_refinement xtal_model_building structural_bioinformatics by jwm to the group Stressosome on 2006-02-15 10:08:49 as along with 1 person and 1 group blackbart Radiation_Damage
	Disseminating structural genomics data to the public: from a data dump to an animated story. [My Copy] Trends Biochem Sci (4 January 2006) by Ruben Abagyan, Wen Hwa H. Lee, Eugene Raush, et al.Levon Budagyan, Maxim Totrov, Michael Sundstrom, Brian D D. Marsden posted to structural_bioinformatics structural_genomics xtal_software by jwm to the group Stressosome on 2006-02-08 10:41:16 as along with 1 person and 3 groups ana structural_bioinformatics Radiation_Damage Bioinformatics
	Automated protein crystal structure determination using ELVES. [My Copy] Proc Natl Acad Sci U S A, Vol. 101, No. 6. (10 February 2004), pp. 1537-1542. by J. Holton, T. Alber posted to xtal_methods xtal_software by jwm to the group Stressosome on 2006-01-10 13:37:59 as along with 1 group Radiation_Damage
	Detection, delineation, measurement and display of cavities in macromolecular structures. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 50, No. Pt 2. (1 March 1994), pp. 178-185. by G. J. Kleywegt, T. A. Jones posted to xtal_software xtal_methods structural_bioinformatics cavities by jwm to the group Stressosome on 2005-11-22 14:03:19 as along with 1 person and 1 group tjimenez Radiation_Damage
	Detection of Protein Assemblies in Crystals [My Copy] Lecture Notes in Computer Science, Vol. 3695 (September 2005), pp. 163-174. by Evgeny Krissinel, Kim Henrick posted to crystallization xtal_methods xtal_software by jwm to the group Stressosome on 2005-11-14 11:57:12 as along with 1 group Radiation_Damage
	A suite of programs for calculating x-ray absorption, reflection and diffraction performance for a variety of materials at arbitrary wavelengths [My Copy] Rev. Sci. Instrum., Vol. 63 (1992), pp. 850-853. by S. Brennan, P. L. Cowan posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm to the group Stressosome on 2005-11-03 20:20:02 as along with 1 group Radiation_Damage
	Relativistic Calculation of Anomalous Scattering Factors for X Rays [My Copy] The Journal of Chemical Physics, Vol. 53, No. 5. (1970), pp. 1891-1898. by Don T. Cromer, David Liberman posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm to the group Stressosome on 2005-11-03 20:01:57 as along with 1 group Radiation_Damage
	X-ray scattering factors computed from numerical Hartree-Fock wave functions [My Copy] Acta Crystallographica, Vol. A24 (1968), pp. 321-328. by D. T. Cromer, J. B. Mann posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm to the group Stressosome on 2005-11-03 19:58:26 as along with 1 group Radiation_Damage
	Anomalous dispersion calculations near to and on the long-wavelength side of an absorption edge [My Copy] Acta Crystallographica, Vol. A37 (1981), pp. 267-268. by D. T. Cromer, D. A. Liberman posted to radiation_damage x-ray xtal_anomalous xtal_methods xtal_software by jwm to the group Stressosome on 2005-11-03 19:56:08 as along with 1 group Radiation_Damage
	Anomalous dispersion corrections computed from self-consistent field relativistic Dirac-Slater wave functions [My Copy] Acta Crystallographica, Vol. 18 (1965), pp. 17-23. by D. T. Cromer posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm to the group Stressosome on 2005-11-03 19:53:10 as along with 1 group Radiation_Damage
	Coordinate transformations in modern crystallographic computing [My Copy] Acta Crystallographica Section A: Foundations of Crystallography, Vol. 60, No. 6. (01 November 2004), pp. 542-549. by Rowicka, M., Kudlicki, et al. A., Zelinka, J., Otwinowski, Z. posted to xtal_methods xtal_software by jwm to the group Stressosome on 2005-10-18 18:07:33 as along with 1 group Radiation_Damage
	Efficient identification of side-chain patterns using a multidimensional index tree. [My Copy] Proteins, Vol. 51, No. 1. (1 April 2003), pp. 96-108. by T. Hamelryck posted to structural_bioinformatics structure xtal_methods xtal_software by jwm to the group Stressosome on 2005-10-06 11:49:39 as along with 2 people and 1 group nickolay Evangelia Radiation_Damage
	An approach to multi-copy search in molecular replacement. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 56 Pt 12 (December 2000), pp. 1622-1624. by A. Vagin, A. Teplyakov posted to molecular_replacelment xtal_methods xtal_software by jwm to the group Stressosome on 2005-09-30 15:24:45 as along with 1 group Radiation_Damage
	Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions. [My Copy] Acta crystallographica. Section D, Biological crystallography, Vol. 60, No. Pt 12 Pt 1. (01 December 2004), pp. 2256-2268. by E. Krissinel, K. Henrick posted to xtal_methods xtal_software by jwm to the group Stressosome on 2005-09-01 18:42:21 as along with 4 people and 3 groups parnell barry analogAI robert structural_bioinformatics Radiation_Damage Bioinformatics
	Polyalanine reconstruction from Calpha positions using the program CALPHA can aid initial phasing of data by molecular replacement procedures. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 53, No. Pt 6. (1 November 1997), pp. 665-672. by R. M. Esnouf posted to xtal_methods xtal_software by jwm to the group Stressosome on 2005-09-01 12:40:44 as along with 1 group Radiation_Damage
	Database algorithm for generating protein backbone and side-chain co-ordinates from a C alpha trace application to model building and detection of co-ordinate errors. [My Copy] J Mol Biol, Vol. 218, No. 1. (5 March 1991), pp. 183-194. by L. Holm, C. Sander posted to xtal_software xtal_model_building xtal_methods by jwm to the group Stressosome on 2005-08-16 13:24:51 as along with 4 people and 1 group krapnik wouterboomsma j3xucite dgront Radiation_Damage
	Choice of data-collection parameters based on statistic modelling. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 59, No. Pt 7. (July 2003), pp. 1145-1153. by A. N. Popov, G. P. Bourenkov posted to data_collection xtal_methods xtal_software by jwm to the group Stressosome on 2005-08-15 13:31:08 as along with 1 group Radiation_Damage
	The CCP4 suite: programs for protein crystallography. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 50, No. Pt 5. (1 September 1994), pp. 760-763. by posted to xtal_methods xtal_software by jwm to the group Stressosome on 2005-08-12 12:25:05 as along with 2 people and 1 group martainn massivemayhem Radiation_Damage
	Crystallography & NMR system: A new software suite for macromolecular structure determination. [My Copy] Acta Crystallogr D Biol Crystallogr, Vol. 54 ( Pt 5) (1 September 1998), pp. 905-921. by A. T. Brünger, P. D. Adams, G. M. Clore, et al.W. L. DeLano, P. Gros, R. W. Grosse-Kunstleve, J. S. Jiang, J. Kuszewski, M. Nilges, N. S. Pannu, R. J. Read, L. M. Rice, T. Simonson, G. L. Warren posted to xtal_methods xtal_software by jwm to the group Stressosome on 2005-08-12 12:17:46 as along with 3 people and 1 group laurabailey miorel martainn Radiation_Damage
	Situs: A package for docking crystal structures into low-resolution maps from electron microscopy. [My Copy] J Struct Biol, Vol. 125, No. 2-3. (y 1999), pp. 185-195. by W. Wriggers, R. A. Milligan, J. A. McCammon posted to em_methods em_software xtal_methods xtal_software by jwm to the group Stressosome on 2005-08-12 11:56:10 as along with 1 person and 1 group aqeel Radiation_Damage
	TopDraw: a sketchpad for protein structure topology cartoons. [My Copy] Bioinformatics, Vol. 19, No. 2. (22 January 2003), pp. 311-312. by C. S. Bond posted to xtal_software by jwm to the group Stressosome on 2005-08-10 10:43:21 as along with 1 group Radiation_Damage
	Coot: model-building tools for molecular graphics [My Copy] Acta Crystallographica Section D: Biological Crystallography, Vol. 60, No. 1. (01 December 2004), pp. 2126-2132. by P. Emsley, K. Cowtan posted to xtal_software xtal_refinement xtal_model_building xtal_methods by jwm to the group Stressosome on 2005-08-08 18:07:35 as along with 3 people and 1 group miorel martainn robert Radiation_Damage
	A real-space refinement procedure for proteins [My Copy] Acta Crystallographica, No. A27. (1971), pp. 436-452. by R. Diamond posted to xtal_methods xtal_refinement xtal_software by jwm to the group Stressosome on 2005-08-08 18:05:16 as along with 1 group Radiation_Damage
	The Fast Rotation Function [My Copy] Int. Sci. Rev. Ser. In The Molecular Replacement Method, Vol. 13 (1972), pp. 173-178. by R. A. Crowther edited by M. G. Rossman posted to self_rotation xtal_methods xtal_software by jwm to the group Stressosome on 2005-07-29 11:28:15 as along with 1 group Radiation_Damage
	MOLREP: an Automated Program for Molecular Replacement [My Copy] Journal of Applied Crystallography, Vol. 30 (1997), pp. 1022-1025. by A. Vagin, A. Teplyakov posted to self_rotation xtal_methods xtal_software by jwm to the group Stressosome on 2005-07-29 11:17:44 as along with 1 group Radiation_Damage

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