• CNS

  • Referenced in 10 articles [sw30617]
  • software suite for macromolecular structure determination. A new software suite, called Crystallography & NMR System ... been developed for macromolecular structure determination by X-ray crystallography or solution nuclear magnetic resonance ... perform operations on data structures, such as structure factors, electron-density maps, and atomic properties ... available for nearly all aspects of macromolecular structure determination by X-ray crystallography and solution...
  • CHARMM

  • Referenced in 111 articles [sw05953]
  • CHARMM models the dynamics and mechanics of macromolecular systems using empirical and mixed empirical/quantum mechanical ... fields. CHARMM is designed to investigate the structure and dynamics of large molecules. It performs...
  • RELION

  • Referenced in 6 articles [sw22792]
  • Bayesian approach to cryo-EM structure determination. RELION, for REgularized LIkelihood OptimizatioN, is an open ... computer program for the refinement of macromolecular structures by single-particle analysis of electron cryo...
  • PHENIX

  • Referenced in 4 articles [sw07392]
  • comprehensive Python-based system for macromolecular structure solution. Macromolecular X-ray crystallography is routinely applied ... solve and complete many of these structures because of the need for manual interpretation ... provide a comprehensive system for macromolecular crystallographic structure solution with an emphasis on the automation...
  • CCP4

  • Referenced in 5 articles [sw22910]
  • programs that allows researchers to determine macromolecular structures by X-ray crystallography, and other biophysical...
  • FREALIGN

  • Referenced in 4 articles [sw19734]
  • FREALIGN: high-resolution refinement of single particle structures. The refinement of three-dimensional reconstructions ... important steps in the determination of macromolecular structures by single particle electron microscopy. The algorithms...
  • mmLib

  • Referenced in 4 articles [sw04609]
  • analysis and manipulation of macromolecular structural models, implemented in the Python programming language ... elements and monomers, an object-oriented data structure describing biological macromolecules, and an OpenGL molecular ... implement high-level application programs for macromolecular crystallography, NMR, modeling, and visualization. This includes specialized...
  • MARCH-INSIDE

  • Referenced in 4 articles [sw27730]
  • generate parameters that numerically describe the chemical structure of drugs and drug targets. This approach ... comparison and mining of molecular and macromolecular chemical structures within large databases. In the work ... molecular structure. Last, we review the use of MARCH-INSIDE to generate macromolecular...
  • X-PLOR

  • Referenced in 6 articles [sw13151]
  • exploration of modern concepts of structured programming in macromolecular simulation...
  • cctbx

  • Referenced in 2 articles [sw15298]
  • project is to advance automation of macromolecular structure determination. PHENIX depends on the cctbx...
  • SHELX

  • Referenced in 5 articles [sw15295]
  • determination of small (SM) and macromolecular (MM) crystal structures by single crystal...
  • PDB_REDO

  • Referenced in 1 article [sw16884]
  • REDO server for macromolecular structure model optimization. The refinement and validation of a crystallographic structure...
  • FMLSQ

  • Referenced in 1 article [sw21490]
  • full-matrix least-squares refinement of macromolecular structures without explicit calculation of the normal matrix...
  • SIGNATURE

  • Referenced in 1 article [sw19729]
  • been successfully applied to macromolecular structural analyses...
  • KiNG

  • Referenced in 1 article [sw19210]
  • first use was to display macromolecular structures for biophysical research. KiNG builds on Mage, JavaMage...
  • XPLO2D

  • Referenced in 2 articles [sw30620]
  • Factory: Software and Resources for Macromolecular Crystallography and Structural Biology. USF - XPLO2D. This program performs...
  • SFCHECK

  • Referenced in 1 article [sw16888]
  • procedures for evaluating the quality of macromolecular structure-factor data and their agreement with...
  • TiltPicker

  • Referenced in 1 article [sw19730]
  • single particle electron microscopy. Solving the structure of macromolecular complexes using transmission electron microscopy ... strongly on the aid of pre-existing structural knowledge, and are greatly complicated when this...
  • TMaCS

  • Referenced in 1 article [sw19731]
  • presents a bottleneck in determining the structures of macromolecular assemblies by single particle electron cryomicroscopy...
  • MOTIF-EM

  • Referenced in 1 article [sw16892]
  • tool for identifying conserved regions in CryoEM structures. We present a new, first ... motifs in cryoEM maps of large macromolecular assemblies (such as chaperonins, viruses, etc.) that remain ... conserved. As a by-product, regions in structures that are not conserved are revealed: this ... graph theory is used to retrieve conserved structural domains or motifs. MOTIF-EM has been...