version 4.03 released

[Giovanni Cardone]

We are pleased to announce the immediate availability of the version
4.03 of AUTO3DEM.
This version contains some critical improvements, and we strongly
suggest to update to this version.
In addition to minor bug fixes and improvements in stability, some
interfaces have changed and new features are provided.
The major changes are:
- the search angle for determining the orientation of the particles is
now optimized at each iteration;
- a new parameter in auto3dem, generate_map, allows to easily to
restrict one iteration to just the alignment or the reconstruction step:
this makes easy to generate a reconstruction under different settings
(temperature factor, selection criteria, etc.);
- the resolution estimate has been improved in many aspects, and an
implementation issue that was causing underestimated values has now been
fixed;
- the reconstruction program has been improved to handle large maps and
to efficiently rescale to different size. The memory requirements of the
program have been slightly reduced, especially when compiled in serial
mode, and it is possible now to compile in single precision, if the map
is too large to be processed in double precision;
- the generation of an initial model by the Random Model Computation now
uses a modified metric that increases the success rate;
- the automatic boxing program in robem has been improved.
You can look at the modification history for a more extensive
description of what is new.
Some of these changes, combined together, make the program to converge
faster, and usually they also lead to better maps with less efforts on
the user side.
The documentation of auto3dem has been updated to reflect these changes.
The tutorial has been updated as well, both to be in line with the
changes made and to demonstrate the use of the option generate_map for
applying a temperature factor to the final reconstruction.

We hope you will enjoy the new version.
Best,
Giovanni

--
Giovanni Cardone
Baker's Laboratory
University of California, San Diego
Department of Chemistry and Biochemistry
9500 Gilman Drive, NSB 4107, MC-0378
La Jolla, CA, 92093-0378
(858)534-5852