Some of the programs can make use of certain environment variables
(you can define values for them in your .cshrc file, for instance):
CCP4_OPEN is a CCP4 environment variable which determines
how new files are to be opened. All RAVE programs that may read CCP4
maps require that this variable is defined and set to UNKNOWN.
Recommended setting: setenv CCP4_OPEN UNKNOWN
OSYM is a variable which can be set to point to the
directory where the O-formatted spacegroup operator files are stored
(usually, this is $ODAT/symm/, where ODAT is another environment
variable which points to the local O data directory. Recommended
setting (Uppsala): setenv ODAT /home/alwyn/o/data/ followed
by setenv OSYM $ODAT/symm/. Programs which (sometimes) need
symmetry operator files (most RAVE programs, for instance) will use
this if they can't locate an appropriate symm-op file in your current
directory.
GKLIB is a variable which can be set to point to a single
directory containing all library files. Several programs need their
own library file (e.g., DEJAVU, VOIDOO, MOLEMAN2, SOD, SEAMAN, MAPROP,
SPASM, RIGOR). When these programs ask you to supply the name of
their library file, the value of GKLIB (if defined) is prefixed
to the default library filename (saves typing long path names).
Recommended setting (Uppsala): setenv GKLIB /nfs/public/lib/
MAPSIZE and MASKSIZE are environment variables which
work with several programs in the RAVE package. They can be used (with
the appropriate versions of these programs) to tell these programs how
much memory should be allocated for maps and masks, respectively. The
values of these environment variables can be over-ruled by specifying
command-line arguments (e.g.: run imp mapsize 10000000). Recommended
settings (Uppsala): setenv MAPSIZE 10000000 and
setenv MASKSIZE 5000000 (higher values for virus and
atomic-resolution work; lower values if you run the software on ESVs).
NUMMAPS is used by MAPMAN, and defines how many maps MAPMAN
can handle. Similarly, NUMMASKS defines the number of masks
that MAMA can have in memory at any one time. Recommended
settings (Uppsala): setenv NUMMAPS 2 and setenv NUMMASKS 4
(higher values for virus and atomic-resolution work; lower values if you
run the software on ESVs).
The maximum number of reflection data sets that DATAMAN can handle
is controlled by NUMSETS (max. 10), and the maximum number of
reflections per data set by SETSIZE. As with the other RAVE
programs, these parameters can be set as environment variables and/or
as command-line arguments. Recommended settings (Uppsala):
setenv NUMSETS 4 and setenv SETSIZE 100000 (higher values
for virus and atomic-resolution work).
A number of programs now support start-up macros, i.e. macros that
are executed automatically when a program starts up. This is useful,
for instance, if you always work with X-PLOR files of nucleic acids
in LSQMAN (set the central atom to P and the chain-mode to XPlor).
or to set your standard grid and cell in MAMA (using the NEw commands).
The feature works by setting an environment variable to the name of
the file which contains your start-up macro. It is available in:
