Dear all,
How does one exclude water from anisotropic refinement in refmac5.8 under
ccp4-7.0
Here is the relevant section from the com file,
refi -
type REST -
resi MLKF -
meth CGMAT -
bref MIXED anisou residues from 100 A to 200 A
This does not work and the logfile has the following warning,
Data line---
refi type REST resi MLKF meth CGMAT bref MIXED anisou RESID
UES 100 A to 200 A
Unknown subkeyword of REFI
????? ANIS ?????
Wrong residual option
Unknown subkeyword of REFI
????? A ?????
Unknown subkeyword of REFI
????? TO ?????
Unknown subkeyword of REFI
????? 200 ?????
Unknown subkeyword of REFI
????? A ?????
Is there any other way of defining the residue range or excluding only water?
Thank you for your help,
Abhishek
