If you are looking for reflection files, the tricky part is that in CNS
format they did not include the unit cell parameters. Just to locate
them, it may be helpful to know that they contain a header that looks
like this
NREFlection= 49238
ANOMalous=FALSe { equiv. to HERMitian=TRUE}
DECLare NAME=FOBS DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=SIGMA DOMAin=RECIprocal TYPE=REAL END
DECLare NAME=TEST DOMAin=RECIprocal TYPE=INTE END
so if you are in *nix environment something like this
egrep -rl '^[ ]DECLare NAME.*DOMAin=RECIprocal' .
I am sure perl masters will laugh at my awkward attempts at using
regular expressions.
Cheers,
Ed.
On 09/21/2012 06:10 AM, Rex Palmer wrote:
I have been presented with the problem of locating protein data for a
structure which was refined here ten years ago with the CNS program.
Unfortunately I have never used this program so do not know what type
of files I am looking for (or how many files).
Any suggestions please
Rex Palmer
http://www.bbk.ac.uk/biology/our-staff/emeritus-staff
http://rexpalmer2010.homestead.com
