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Next: ARP/wARP Keywords Up: Using ARP/wARP Previous: Supplementary Use of ARP/wARP

I Hate Automated Scripts

If you insist on using command files rather than our wonderful automated scripts - no problem. See the chapter on ARP/wARP keywords for a detailed description. If you have a working command file from a previous release just change the ARP part to look like this:

arp_warp XYZIN input_coordinates MAPIN1 3Fo-2Fc_map_file $\scriptstyle\tt\backslash$
MAPIN2 Fo-Fc_map_file_name XYZOUT output_coordinates << eof
MODE UPDATE ALLATOMS/WATERS
[CELL cell parameters]
[REFINE waters/allatoms]
SYMM spacegroup
RESOLUTION resmin resmax
FIND ATOMS number CHAIN string CUTSIGMA number/AUTO
REMOVE ATOMS number CUTSIGMA number [MERGE number] [KEEP ZEROOCC]
END
eof



VL AP RM
1998-09-03