DENSS

DENsity from Solution Scattering

  • About DENSS
  • Download
  • Install
  • Tutorial
    • Introduction
    • Basic Usage
    • Averaging with DENSS
    • Averaging with EMAN2
    • Advanced Usage
    • Tips
  • News

Dihedral symmetry option added to DENSS

March 24, 2021 by Tom Grant

A new option has been added to DENSS for enforcing dihedral symmetry in addition to the previously available cyclical symmetry option. Dihedral symmetry adds n 2-fold axes of symmetry perpendicular to each cyclical symmetry related position. By applying this additional restraint for such objects, significantly improved reconstructions can be obtained. For example, many protein tetramers, rather than possessing 4-fold cyclical symmetry (C4) will instead possess D2 dihedral symmetry. Another … [Read more...]

Filed Under: Developments, News

DENSSWeb Updated

February 26, 2021 by Tom Grant

DENSSWeb, our online web server for running the full DENSS pipeline, has recently received a major update. Try out DENSSWeb at denss.ccr.buffalo.edu DENSSWeb runs 20 individual DENSS reconstructions and aligns and averages the reconstructions. DENSSWeb now has the Fast, Slow, and Membrane modes available. Previously only Fast mode was available for quick reconstructions of simple systems, and now DENSSWeb is capable of producing results suitable for publication with the additional Slow and … [Read more...]

Filed Under: Developments, News

DENSS v1.6.3 updates

February 26, 2021 by Tom Grant

DENSS v 1.6.3 released today has several bug fixes and feature updates: Major/moderate updates: Updated output fit files from denss.fit_data.py to have the .fit extension common for such file types. This replaces the old *_fit.dat suffix..fit files created by denss.fit_data.py and denss.py now conform to the standard .fit format as a 4-column ascii text file containing (q, I, error, fit).When denss.py is given a file with real data and a fit, such as a GNOM .out file or the .fit file … [Read more...]

Filed Under: Developments, News

Automatic Dmax and profile fitting

August 26, 2020 by Tom Grant

DENSS v1.6.1 now includes new convenience features to automatically estimate the maximum dimension of the particle, Dmax, and perform fitting of the experimental scattering profile. denss.fit_data.py will automatically estimate Dmax when started and calculate an initial profile fit, rather than default to Dmax = 100 Ådenss.fit_data.py will now write out additional header lines to the *_fit.dat output file containing parameter values such as Dmax and Rg.denss.py now reads the header from … [Read more...]

Filed Under: Developments, News

DENSS v1.6 released

August 14, 2020 by Tom Grant

Version 1.6 contains several updates, features and bug fixes since DENSS version 1.5.0. Special thanks to Jesse Hopkins, Andrew Bruno, and Markus Meier and Fabian Heide for bug fixes and improvements. Some major updates include: GPU acceleration added (v1.5.1) (requires CuPy and CUDA GPU)Major updates to how shrink-wrap deals with negative contrast, particularly important for membrane proteins and other lipid containing particlesSeveral updates to denss.fit_data.py Some additional updates … [Read more...]

Filed Under: Developments, News

GPU acceleration with CuPy

June 17, 2020 by Tom Grant

A new --gpu option when running denss.py v1.5.1 with NVIDIA CUDA capable graphics cards is available. Tests show this option speeds DENSS up by more than 20x compared to CPU-only. Requires CuPy to be installed. We will attempt to update this in the future for more GPUs using OpenCL. Please contact us to let us know if you run into any bugs or issues. … [Read more...]

Filed Under: Developments, News

DENSS updated to Python 3

March 5, 2020 by Tom Grant

DENSS has now been updated to be compatible with both Python 2 and 3 (DENSS version 1.5+). Python 2.7 was sunset on January 1, 2020 and will no longer receive feature or security updates. To keep DENSS current and ensure compatibility with future Python updates, we have updated DENSS to Python 3. DENSS has now been tested in Python 3.6, 3.7, and 3.8 environments. DENSS is still compatible with Python 2.7 and we will attempt to maintain compatibility as long as possible. Please let us know using … [Read more...]

Filed Under: Developments, News Tagged With: Developments, News

DENSS v1.5 released

March 4, 2020 by Tom Grant

The major new update includes: DENSS updated to Python 3 Some additional updates include: added pdb2map_fastgauss() function which is >100x faster for calculating density from PDB atomic coordinatesfixed bugs in denss.mrcops.py related to resampling and rescalingfixed bug with origin definition when writing MRC files. Now compatible with latest versions of PyMOL … [Read more...]

Filed Under: Developments, News

New MEMBRANE mode

March 8, 2019 by Tom Grant

DENSS now has a new mode for membrane proteins. Membrane proteins are often solubilized in detergents or lipid nanodiscs. The hydrophobic regions of these molecules often have lesser scattering density than the bulk solvent, resulting in a negative contrast relative to the solvent. The default setting for DENSS enforces a positivity restraint that will not allow any density to be negative. While this is appropriate for most standard biomolecules such as proteins and nucleic acids, is it not … [Read more...]

Filed Under: Developments, News

New symmetry averaging feature

November 20, 2018 by Tom Grant

DENSS now includes the ability to impose symmetry to improve the resolution of reconstructions. DENSS first aligns the principal axes of the map with the x, y, and z axes. Then the value of the map at each symmetry mate location is set to the average of all related values. Imposing symmetry is as easy as setting the -ncs option. Click here to learn more.  … [Read more...]

Filed Under: Developments, News

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Contact the Author:

  • Email
    tdgrant@buffalo.edu
  • Phone
    (716) 829-5490
  • Address
    Jacobs School of Medicine and Biomedical Sciences
    SUNY University at Buffalo
    955 Main Street
    Buffalo, New York, USA 14203

Contact the Author:

  • Email
    tdgrant@buffalo.edu
  • Phone
    (716) 829-5490
  • Address
    Jacobs School of Medicine and Biomedical Sciences
    SUNY University at Buffalo
    955 Main Street
    Buffalo, New York, USA 14203

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