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Program announcement: new map utilities
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New versions are available of the map manipulation utilities `mapmask'
and `maprot'. The changes dramatically simplify the process of cutting
out a region of density for use as a molecular replacement search
model, e.g. for locating ncs or multi-crystal averaging operators.
`mapmask' has minor changes which are backward compatible:
The 'XYZLIM' keyword now accepts new subkeywords:
XYZLIM CELL - extend to cover a whole unit cell
XYZLIM MATCH - extend to match the extent of another map or mask,
provided on the input name assignment 'MAPLIM'.
`maprot' has major changes which break backward compatibility with old
scripts and ccp4i, and has not been exhaustively tested:
`MAPIN' is now optional. A blank starting map may be used by
specifying the cell and grid using CELL and GRID keywords.
The format of the CELL and GRID keywords are therefore
incompatible with previous versions.
A `CUTOUT' output map may be specified. This map is produced in
MODE TO and covers only the extent of the masked region copied
from the work map.
As a result, map cutting may be performed by supplying a work map and
mask (WRKIN+MSKIN), leaving the unit-cell map (MAPIN) blank, and
giving a single operator (which may be unitary) along with GRID and
CELL for the cutout map. The cut density is written to the CUTOUT file.
Additionally, maprot now demands that the unit-cell map (MAPIN) covers
an entire unit cell. The documentation incorrectly indicated that an
assymetric unit was sufficient. In theory the program can work in
certain cases with a smaller input map, but working out how much of
the map is required is an impractically complex task for the user,
wheras expanding the map is trivial using mapmask+XYZLIM CELL.
The new maptuils are available by ftp as follows:
> ftp ftp.yorvic.york.ac.uk
ftp > cd pub/ccp4
ftp > get maputils.tar.gz
ftp > quit
> gunzip maputils.tar.gz
> tar xvf maputils.tar
> cd maputils/maprot_
> cd ../mapmask__