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jwm xtal_software [73 articles]

最近 jwm さんのライブラリに追加された論文の中から タグ xtal_software. You can also see everyone's xtal_software.
  • Improved R-factors for diffraction data analysis in macromolecular crystallography.
    Nature structural biology, Vol. 4, No. 4. (April 1997), pp. 269-275.
    by K Diederichs, PA Karplus
    posted to protein_structure_validation xtal_software by jwm on 2008-04-21 14:06:47 as **
  • Automated structure solution with autoSHARP.
    Methods Mol Biol, Vol. 364 (2007), pp. 215-230.
    by C Vonrhein, E Blanc, P Roversi, G Bricogne
    posted to experimental_phasing xtal_software by jwm on 2008-03-19 14:41:50 as **
  • Sequence alignment for molecular replacement
    Acta Crystallographica Section D Biological Crystallography
    by Barton
    posted to molecular_replacement structural_bioinformatics xtal_methods xtal_software by jwm on 2008-02-20 10:38:14 as **
  • Version 1.2 of the Crystallography and NMR system.
    Nat Protoc, Vol. 2, No. 11. (2007), pp. 2728-2733.
    by AT Brunger
    posted to xtal_methods xtal_software by jwm on 2008-01-25 12:12:24 as **
  • mtz2sca and mtz2hkl: facilitated transition from CCP4 to the SHELX program suite
    Journal of Applied Crystallography, Vol. 41 (2008), pp. 217-218.
    by Tim Grune
    posted to xtal_methods xtal_software by jwm on 2008-01-18 14:15:54 as **
  • Elimination of minimal FFT grid-size limitations
    Journal of Applied Crystallography, Vol. 35, pp. 505-505.
    by David Langs
    posted to xtal_methods xtal_software by jwm on 2007-10-31 20:07:08 as ** along with 1 person thangaraju
  • Direct incorporation of experimental phase information in model refinement
    Acta Crystallographica Section D: Biological Crystallography, Vol. 60, No. 1. (01 December 2004), pp. 2196-2201.
    by Skubák, , Murshudov, , Pannu,
    posted to protein_structure_refinement xtal_methods xtal_software by jwm on 2007-10-19 20:52:16 as **
  • Untitled
    Joint CCP4 and ESF-EACBM Newsletter on Protein Crystallography, Vol. 31 (1994), pp. 34-38.
    by K Cowtan
    posted to xtal_density_modification xtal_methods xtal_software by jwm on 2007-10-16 17:33:22 as **
  • Construction of new ligand binding sites in proteins of known structure. I. Computer-aided modeling of sites with pre-defined geometry.
    J Mol Biol, Vol. 222, No. 3. (5 December 1991), pp. 763-785.
    by HW Hellinga, FM Richards
    posted to protein_design xtal_software by jwm on 2007-10-11 20:26:10 as **
  • Transformational space-group symbols
    Acta Crystallographica Section A Foundations of Crystallography
    by Kazimierz Stroz
    posted to xtal_methods xtal_software by jwm on 2007-10-02 13:29:41 as **
  • Automated search-model discovery and preparation for structure solution by molecular replacement
    Acta Crystallographica Section D Biological Crystallography
    by Keegan
    posted to molecular_replacement xtal_methods xtal_software by jwm on 2007-09-27 16:09:58 as **
  • Model building of disulfide bonds in proteins with known three-dimensional structure.
    Protein Eng, Vol. 2, No. 2. (July 1988), pp. 119-125.
    by B Hazes, BW Dijkstra
    posted to xtal_software structural_bioinformatics protein_engineering disulfide by jwm on 2007-09-14 13:19:58 as ** along with 2 groups Radiation_Damage Stressosome
  • Stereochemical restraints revisited: how accurate are refinement targets and how much should protein structures be allowed to deviate from them?
    Acta Crystallographica Section D Biological Crystallography
    by Jaskolski
    posted to protein_structure_refinement xtal_software by jwm on 2007-09-12 10:21:00 as ** along with 2 groups Radiation_Damage Stressosome
  • notes Structure validation by Calpha geometry: phi,psi and Cbeta deviation.
    Proteins, Vol. 50, No. 3. (15 February 2003), pp. 437-450.
    by SC Lovell, IW Davis, WB Arendall, PI de Bakker, JM Word, MG Prisant, JS Richardson, DC Richardson
    posted to xtal_software structure_validation by jwm on 2007-09-06 17:07:20 as ** along with 6 people and 2 groups aqeel robert dgront xiaobeizhao martainn mijam Radiation_Damage Stressosome
  • Shape complementarity at protein/protein interfaces.
    J Mol Biol, Vol. 234, No. 4. (20 December 1993), pp. 946-950.
    by MC Lawrence, PM Colman
    posted to ccp4 docking protein_docking structural_bioinformatics xtal_methods xtal_software by jwm on 2007-08-07 13:35:44 as ** along with 1 person and 2 groups kintoki Radiation_Damage Stressosome
  • Modeling shape and topology of low-resolution density maps of biological macromolecules.
    Biophys J, Vol. 83, No. 2. (August 2002), pp. 619-632.
    by PA De-Alarcón, A Pascual-Montano, A Gupta, JM Carazo
    posted to model_building skeletonization xtal_methods xtal_software by jwm on 2007-08-06 17:15:33 as ** along with 2 groups Radiation_Damage Stressosome
  • An improved algorithm to locate critical points in a 3D scalar field as implemented in the program MORPHY.
    J Comput Chem, Vol. 24, No. 4. (March 2003), pp. 437-442.
    by NO Malcolm, PL Popelier
    posted to model_building skeletonization xtal_methods xtal_software by jwm on 2007-08-06 16:59:40 as ** along with 2 groups Radiation_Damage Stressosome
  • Core tracing: depicting connections between features in electron density.
    Acta Crystallogr D Biol Crystallogr, Vol. 50, No. Pt 5. (1 September 1994), pp. 695-708.
    by SM Swanson
    posted to model_building skeletonization xtal_methods xtal_software by jwm on 2007-08-06 16:55:56 as ** along with 2 groups Radiation_Damage Stressosome
  • Phaser crystallographic software
    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 molecular_replacement xtal_methods xtal_software by jwm on 2007-08-03 14:14:35 as ** along with 2 groups Radiation_Damage Stressosome
  • Scaling and assessment of data quality
    Acta Crystallographica Section D: Biological Crystallography, Vol. 62, No. 1. (01 January 2006), pp. 72-82.
    by Evans,
    posted to xtal_methods xtal_software by jwm on 2007-07-10 09:35:18 as ** along with 2 groups Radiation_Damage Stressosome
  • The Clipper C++ libraries for X-ray crystallography
    IUCr Computing Commission Newsletter, Vol. 2 (2003), pp. 4-9.
    by K Cowtan
    posted to xtal_methods xtal_software by jwm on 2007-06-19 15:29:37 as ** along with 2 groups Radiation_Damage Stressosome
  • notes Model bias in macromolecular crystal structures
    Acta Cryst., Vol. A48 (1992), pp. 851-858.
    by A Hodel, SH Kim, AT Brünger
    posted to xtal_model_building xtal_refinement xtal_software xtal_methods by jwm on 2007-05-18 16:52:21 as ** along with 2 groups Radiation_Damage Stressosome
  • The PyMOL Molecular Graphics System
    (2002)
    by WL Delano
    posted to molecular_graphics xtal_methods xtal_software by jwm on 2007-03-25 18:42:45 as ** along with 2 groups Radiation_Damage Stressosome
  • ElNemo: a normal mode web server for protein movement analysis and the generation of templates for molecular replacement.
    Nucleic Acids Res, Vol. 32, No. Web Server issue. (1 July 2004)
    by K Suhre, YH Sanejouand
    posted to xtal_software xtal_refinement xtal_methods web_server by jwm on 2007-01-19 16:19:23 as ** along with 4 people and 2 groups BragilMassoud apaydin choonpeng martainn Radiation_Damage Stressosome
  • Considerations for the refinement of low-resolution crystal structures
    Acta Crystallographica Section D: Biological Crystallography, Vol. 62, No. 8. (01 August 2006), pp. 923-932.
    by Delabarre, , Brunger,
    posted to xtal_software xtal_refinement xtal_methods by jwm on 2007-01-19 11:51:40 as ** along with 2 groups Radiation_Damage Stressosome
  • Toward the structural genomics of complexes: crystal structure of a PE/PPE protein complex from Mycobacterium tuberculosis.
    Proc Natl Acad Sci U S A, Vol. 103, No. 21. (23 May 2006), pp. 8060-8065.
    by M Strong, MR Sawaya, S Wang, M Phillips, D Cascio, D Eisenberg
    posted to xtal_methods xtal_software by jwm on 2006-10-18 15:46:45 as ** along with 2 groups Radiation_Damage Stressosome
  • Substructure solution with SHELXD.
    Acta Crystallogr D Biol Crystallogr, Vol. 58, No. Pt 10 Pt 2. (October 2002), pp. 1772-1779.
    by TR Schneider, GM Sheldrick
    posted to experimental_phasing phasing shelxd xtal_methods xtal_software by jwm on 2006-10-03 15:11:07 as ** along with 1 person and 2 groups robert Radiation_Damage Stressosome
  • SITCOM: a program for comparing sites in macromolecular substructures
    Journal of Applied Crystallography, Vol. 39, No. 4. (2006), pp. 618-619.
    by F Dall'antonia, TR Schneider
    posted to experimental_phasing phasing xtal_anomalous xtal_methods xtal_software by jwm on 2006-09-29 16:22:18 as ** along with 2 groups Radiation_Damage Stressosome
  • Likelihood-enhanced fast translation functions
    Acta Crystallographica Section D: Biological Crystallography, Vol. 61, No. 4. (01 April 2005), pp. 458-464.
    by AJ Mccoy, RW Grosse-Kunstleve, LC Storoni, RJ Read
    posted to ccp4 molecular_replacement phaser xtal_methods xtal_software by jwm on 2006-09-22 16:43:27 as ** along with 2 groups Radiation_Damage Stressosome
  • SFTOOLS
    by B Hazes
    posted to ccp4 xtal_software by jwm on 2006-09-22 16:40:54 as ** along with 2 groups Radiation_Damage Stressosome
  • A procedure for detection and quantitation of cavity volumes proteins. Application to measure the strength of the hydrophobic driving force in protein folding.
    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 on 2006-09-06 17:33:17 as ** along with 1 person and 2 groups siebertm Radiation_Damage Stressosome
  • Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation.
    J Mol Biol, Vol. 285, No. 4. (29 January 1999), pp. 1735-1747.
    by JM Word, SC Lovell, JS Richardson, DC Richardson
    posted to structural_bioinformatics xtal_model_building xtal_software xtal_structure by jwm on 2006-09-06 15:59:50 as ** along with 4 people and 2 groups kaarsinogen Alan j3xucite blackbart Radiation_Damage Stressosome
  • Molecular surface recognition: determination of geometric fit between proteins and their ligands by correlation techniques.
    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, AA Friesem, C Aflalo, IA Vakser
    posted to protein_docking structural_bioinformatics xtal_methods xtal_software by jwm on 2006-07-08 11:47:27 as ** along with 7 people and 2 groups tjimenez chad_davis ima j3xucite kazemi Ema LamBras Radiation_Damage Stressosome
  • Maximum-Likelihood Heavy-Atom Parameter Refinement for Multiple Isomorphous Replacement and Multiwavelength Anomalous Diffraction Methods.
    Methods in Enzymology, Vol. 276 (1997), pp. 472-494.
    by Eric Fortelle, G Bricogne
    edited by CW Carter, RM Sweet
    posted to phasing xtal_methods xtal_software by jwm on 2006-04-17 14:23:53 as ** along with 2 groups Radiation_Damage Stressosome
  • Fast Fourier feature recognition.
    Acta Crystallogr D Biol Crystallogr, Vol. 57, No. Pt 10. (October 2001), pp. 1435-1444.
    by K Cowtan
    posted to xtal_methods xtal_model_building xtal_software by jwm on 2006-04-17 14:20:00 as ** along with 2 groups Radiation_Damage Stressosome
  • TLSMD web server for the generation of multi-group TLS models
    Journal of Applied Crystallography, Vol. 39 (2006), pp. 109-111.
    by J Painter, EA Merritt
    posted to xtal_methods xtal_model_building xtal_refinement xtal_software by jwm on 2006-02-17 17:26:11 as ** along with 2 groups Radiation_Damage Stressosome
  • The penultimate rotamer library.
    Proteins, Vol. 40, No. 3. (15 August 2000), pp. 389-408.
    by SC Lovell, JM Word, JS Richardson, DC Richardson
    posted to structural_bioinformatics xtal_model_building xtal_refinement xtal_software by jwm on 2006-02-15 10:08:49 as ** along with 1 person and 2 groups blackbart Radiation_Damage Stressosome
  • Disseminating structural genomics data to the public: from a data dump to an animated story.
    Trends Biochem Sci (4 January 2006)
    by Ruben Abagyan, Wen Hwa H Lee, Eugene Raush, Levon Budagyan, Maxim Totrov, Michael Sundstrom, Brian D D Marsden
    posted to structural_bioinformatics structural_genomics xtal_software by jwm on 2006-02-08 10:41:16 as ** along with 1 person and 4 groups ana structural_bioinformatics Radiation_Damage Stressosome Bioinformatics
  • Automated protein crystal structure determination using ELVES.
    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 on 2006-01-10 13:37:59 as ** along with 2 groups Radiation_Damage Stressosome
  • notes Detection, delineation, measurement and display of cavities in macromolecular structures.
    Acta Crystallogr D Biol Crystallogr, Vol. 50, No. Pt 2. (1 March 1994), pp. 178-185.
    by GJ Kleywegt, TA Jones
    posted to cavities structural_bioinformatics xtal_methods xtal_software by jwm on 2005-11-22 14:03:19 as ** along with 1 person and 2 groups tjimenez Radiation_Damage Stressosome
  • Detection of Protein Assemblies in Crystals
    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 on 2005-11-14 11:57:12 as ** along with 2 groups Radiation_Damage Stressosome
  • A suite of programs for calculating x-ray absorption, reflection and diffraction performance for a variety of materials at arbitrary wavelengths
    Rev. Sci. Instrum., Vol. 63 (1992), pp. 850-853.
    by S Brennan, PL Cowan
    posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm on 2005-11-03 20:20:02 as ** along with 2 groups Radiation_Damage Stressosome
  • Relativistic Calculation of Anomalous Scattering Factors for X Rays
    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 on 2005-11-03 20:01:57 as ** along with 2 groups Radiation_Damage Stressosome
  • X-ray scattering factors computed from numerical Hartree-Fock wave functions
    Acta Crystallographica, Vol. A24 (1968), pp. 321-328.
    by DT Cromer, JB Mann
    posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm on 2005-11-03 19:58:26 as ** along with 2 groups Radiation_Damage Stressosome
  • Anomalous dispersion calculations near to and on the long-wavelength side of an absorption edge
    Acta Crystallographica, Vol. A37 (1981), pp. 267-268.
    by DT Cromer, DA Liberman
    posted to radiation_damage x-ray xtal_anomalous xtal_methods xtal_software by jwm on 2005-11-03 19:56:08 as ** along with 2 groups Radiation_Damage Stressosome
  • Anomalous dispersion corrections computed from self-consistent field relativistic Dirac-Slater wave functions
    Acta Crystallographica, Vol. 18 (1965), pp. 17-23.
    by DT Cromer
    posted to radiation_damage xtal_anomalous xtal_methods xtal_software by jwm on 2005-11-03 19:53:10 as ** along with 2 groups Radiation_Damage Stressosome
  • Coordinate transformations in modern crystallographic computing
    Acta Crystallographica Section A: Foundations of Crystallography, Vol. 60, No. 6. (01 November 2004), pp. 542-549.
    by Rowicka, , Kudlicki, , Zelinka, , Otwinowski,
    posted to xtal_methods xtal_software by jwm on 2005-10-18 18:07:33 as ** along with 2 groups Radiation_Damage Stressosome
  • Efficient identification of side-chain patterns using a multidimensional index tree.
    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 on 2005-10-06 11:49:39 as ** along with 2 people and 2 groups nickolay Evangelia Radiation_Damage Stressosome
  • An approach to multi-copy search in molecular replacement.
    Acta Crystallogr D Biol Crystallogr, Vol. 56 Pt 12 (December 2000), pp. 1622-1624.
    by A Vagin, A Teplyakov
    posted to molecular_replacement xtal_methods xtal_software by jwm on 2005-09-30 15:24:45 as ** along with 2 groups Radiation_Damage Stressosome
  • Secondary-structure matching (SSM), a new tool for fast protein structure alignment in three dimensions
    Acta Crystallographica Section D: Biological Crystallography, Vol. 60, No. 1. (01 December 2004), pp. 2256-2268.
    by E Krissinel, K Henrick
    posted to structural_bioinformatics xtal_methods xtal_software by jwm on 2005-09-01 18:42:21 as ** along with 3 people and 4 groups barry analogAI robert structural_bioinformatics Radiation_Damage Stressosome Bioinformatics
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