Dear All,
I would like to learn how to relate water molecules by NCS and refine them.
When I googled, CCP4 utilities sortwater and watncs showed up. I also found
"Applying NCS to a high resolution structure , including water molecules in NCS
restraints" on autobuster examples. Some how I got error
Interpreting card: NOTE BUSTER_SIM_DEFINE ncsUV Chain_U V Number of atoms
in template set= 109 Number of related chains (other than template) in
SIM set= 1 List of chains to be restrained (excluding template)= V
*** ERROR a chain specified has less than 3 matching atoms to the template ***
ERROR the chain in question is 'V' *** ERROR number of matching atoms is=
0 *** ERROR found in finding matching atoms for NCS set up(END)
Could you please point me to place where I could find one or two good examples
or extended information to learn how this works? Also would like to know if
this helps the refinement in general.
ThanksRajesh
