I usually do that with a simple selection. it works in MAIN, CNS, RASMOL....
below syntax for RASMOL (because it comes w/ ccp4) assuming they are
superimpsosed, waters have chain names W and X, respectivly, and your cutoff
for conservedness(?) is 0.7A:
select (water and *:W) and within(0.7,(water and *:X))
write pdb conserved.pdb
On Friday 29 August 2008 01:22:09 Tim Gruene wrote:
> Hello,
>
> I am (lazily ;-)) looking for a program that list all conserved waters
> between to structures (after superposition), i.e. all waters between both
> structures within a certain distance cut-off.
>
> Could anyone please point me to a program that does this?
>
> Thanks a lot, Tim
>
> --
> Tim Gruene
> Institut fuer anorganische Chemie
> Tammannstr. 4
> D-37077 Goettingen
>
> GPG Key ID = A46BEE1A
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