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CCP4i: Graphical User Interface |
MIR Tutorial Bath - CCP4 usage appendix |
CCP4 usage summary
Type_of_data | Logical_name | Default_extension |
|
In |
Out |
|
Reflections |
HKLIN |
HKLOUT |
.mtz |
Density map |
MAPIN |
MAPOUT |
.map |
Coordinates |
XYZIN |
XYZOUT |
.brk |
Plot vectors |
* |
PLOT |
.plo |
* Plot file only read by PLTDEV program; uses different mechanism.
Example script to run SFALL & FFT on hexagonal pepsin data
<============== UNIX =============> |
<=============== VMS ===============> |
#!/bin/csh |
setup_ccp4 # site specific |
$ setup_ccp4 ! site specific |
set verbose |
$ set verify=proc |
# |
$ |
sfall |
HKLIN hexpep XYZIN hexpep \ |
$ sfall |
HKLIN hexpep XYZIN hexpep - |
|
HKLOUT hexpep_fcalc <<EOD |
|
HKLOUT hexpep_fcalc |
. |
[ Control data for SFALL goes here. ] |
. |
EOD |
# |
if ($status) exit |
# error exit! |
# |
$ |
fft |
HKLIN hexpep_fcalc \ |
$ fft |
HKLIN hexpep_fcalc - |
|
MAPOUT hexpep_2FoFc <<EOD |
|
MAPOUT hexpep_2FoFc |
. |
[ Control data for FFT goes here. ] |
. |
EOD |
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