MOTIVATION: Efficient fitting tools are needed to take advantage of a fast growth of atomic models of protein domains from crystallography or comparative modeling, and low-resolution density maps of larger molecular assemblies. Here, we report a novel fitting algorithm for the exhaustive and fast overlay of partial high-resolution models into a low-resolution density map. The method incorporates a fast rotational search based on spherical harmonics (SH) combined with a simple translational scanning. RESULTS: This novel combination makes it possible to accurately dock atomic structures into low-resolution electron-density maps in times ranging from seconds to a few minutes. The high-efficiency achieved with simulated and experimental test cases preserves the exhaustiveness needed in these heterogeneous-resolution merging tools. The results demonstrate its efficiency, robustness and high-throughput coverage. AVAILABILITY: http://sbg.cib.csic.es/Software/ADP_EM. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
MOTIVATION: Efficient fitting tools are needed to take advantage of a fast growth of atomic models of protein domains from crystallography or comparative modeling, and low-resolution density maps of larger molecular assemblies. Here, we report a novel fitting algorithm for the exhaustive and fast overlay of partial high-resolution models into a low-resolution density map. The method incorporates a fast rotational search based on spherical harmonics (SH) combined with a simple translational scanning. RESULTS: This novel combination makes it possible to accurately dock atomic structures into low-resolution electron-density maps in times ranging from seconds to a few minutes. The high-efficiency achieved with simulated and experimental test cases preserves the exhaustiveness needed in these heterogeneous-resolution merging tools. The results demonstrate its efficiency, robustness and high-throughput coverage. AVAILABILITY: http://sbg.cib.csic.es/Software/ADP_EM. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
Authors: D Roeland Boer; José A Ruíz-Masó; José R López-Blanco; Alexander G Blanco; Mireia Vives-Llàcer; Pablo Chacón; Isabel Usón; F Xavier Gomis-Rüth; Manuel Espinosa; Oscar Llorca; Gloria del Solar; Miquel Coll Journal: EMBO J Date: 2009-06-03 Impact factor: 11.598
Authors: Eva Torreira; Agustín Tortajada; Tamara Montes; Santiago Rodríguez de Córdoba; Oscar Llorca Journal: Proc Natl Acad Sci U S A Date: 2009-01-09 Impact factor: 11.205
Authors: José Ignacio Garzon; José Ramón Lopéz-Blanco; Carles Pons; Julio Kovacs; Ruben Abagyan; Juan Fernandez-Recio; Pablo Chacon Journal: Bioinformatics Date: 2009-07-20 Impact factor: 6.937