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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 |
Users of CCP4 are strongly advised to subscribe to the CCP4 Bulletin Board
To subscribe, send an e-mail containing only the message "subscribe ccp4bb" to
majordomo@dl.ac.uk
Also see the web page: www.dl.ac.uk/CCP/CCP4/
for answers to FAQ's, reported problems, previous BB messages, copies of the newsletter etc.
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