Hi folks
We are pleased to announce a new release of Mosflm & iMosflm; there
are quite a few changes (a non-exhaustive list is at the end of this
message). The default web-pages for both programs will now lead you
directly to the new versions;
http://www.mrc-lmb.cam.ac.uk/harry/imosflm
and
http://www.mrc-lmb.cam.ac.uk/harry/mosflm
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Changes since 1.0.7 / 7.0.9
iMosflm has been re-numbered to 7.1.0 so that its index coincides
with that for Mosflm.
There was no version of iMosflm between 1.0.7 and 7.1.0.
1. It is now possible to attempt to index and integrate images
showing multiple lattices. This is an initial implementation and will
only work in straightforward cases, for example the difference in
orientation of the lattices must be greater than 1-2 degrees. Also at
present it is only possible to use those reflections that are not
overlapped when using the data in any downstream processing, and this
will usually mean a significant drop in completeness. More details
are given below.
2. It is now possible to distribute the integration task over
multiple cores (parallel processing) while retaining the graphical
output (only for OSX and Linux, not for Windows).
3.It is now possible to merge multiple MTZ files in QuickSymm/
QuickScale. In addition, it is possible to have some control over the
scaling (exclude batches, reset resolution limits etc).
4. When completed, the results from the beam-search in the Indexing
step are now sorted on the positional residual (discriminating
against solutions with larger unit cells) to make it easier to
identify the correct solution.
5. A "traffic light" system of warnings has been introduced, to make
it easier to identify when there is a serious problem with processing.
6. Improved spot finding for very small spot sizes (eg in situ
crystals with the Pilatus detector).
7. Small changes to autoindexing.
8. Resolution ranges to exclude from processing can now be defined
explicitly, to avoid the severe loss in completeness that results
from excluding all possible resolution shells for ice diffraction. In
addition, anisotropic resolution limits may be specified.
9. It is now possible to define the detector "omega" angle for non-
standard installations.
10. A "site" file can be used to specify experimental parameters that
are known to be incorrect in the image header. This saves having to
correct these parameters in every session of iMosflm. The site file
has format " ". Allowed keywords:
WAVELENGTH DISPERSION POLARISATION [PINHOLE | MIRRORS | MONO |
SYNCHROTRON ] DIVERGENCE BEAM DISTANCE DISTORTION TILT DISTORTION
TWIST GAIN DETECTOR REVERSEPHI DETECTOR OMEGA
11. A site file can be read or saved from the "Session" menu, or on
startup using:
imosflm --site
A message will given in the launch window if any error in the keyword
or value is detected. Other command line options are also available,
listed by typing "imosflm --help".
12. The CCP4 "Uniqueify" script is run automatically after TRUNCATE,
providing an MTZ file with Rfree flags included.
13. QtRView replaces BAUBLES to present results from POINTLESS/
AIMLESS/TRUNCATE, so this no longer depends on a Web browser.
14. Multiple small bug fixes.
Harry
--
** note change of address **
Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick
Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH
Chairman of European Crystallographic Association SIG9
(Crystallographic Computing)
