The following sections shortly describe the
SASRES approach to asses resolution of ab initio model ensembles, how to run SASRES from the
command-line on any of the supported platforms, describe the
the required input files and parameters as well as the produced output file.
If you use results from SASRES in your own publication, please cite:
SASRES is a tool to assess the quality and resolution of ab initio shapes
reconstructed using small-angle scattering (SAS) data. The Fourier Shell
Correlation (FSC) based approach was developed to evaluate the resolution
of an ab initio reconstruction using a pre-aligned ensemble of models. Here,
the variability of multiple SAS models derived from a single scattering dataset
is utilized to estimate the model resolution. It was shown that the average
FSC function over an ensemble that reflects the variability of models is
directly related to the resolution of the individual models in the shape
reconstruction.
Input models are expected to be pre-aligned, either by DAMAVER
or possibly CIFSUP, both part of ATSAS, or any other
third party application capable of superposition of models. The FSC is calculated
pairwise between all the input models provided and the final FSC is calculated as
the mean of all pairwise, together with the standard error of the mean. The resolution
threshold is at FSC=0.5.
Here, the FILE(S) argument is a list of ab initio dummy atom or dummy residue
models in PDB or mmCIF format.
SASRES does not provide an interactive mode but is completely configurable through
its command line options. The ARGUMENTS and OPTIONS known by
SASRES are described in the next section below.
SASRES computes the average FSC function and estimates the ensemble resolution.
The results are written to stdout, or the file name specified with the
output option.