[sharp-discuss] Problem with pir file in new version

[Clemens Vonrhein]

Hi Hari,

On Wed, Dec 14, 2005 at 06:56:15PM -0500, hari jayaram wrote:
> Hello Clemens,
> Yup that is exactly what happened. Since it was cut and pasted from an
> email..I think some crazy character did lurk in that line.
> Ftp-ing the file to the machine solved the problem.
> Phew!!
> What you see is not what it is I guess.

Yes - I might need to add a FunnyCharacterRemoval function to
autoSHARP ;-)

> We did get autosharp SIRAS to work from the ccp4i gui ( new version
> ccp4 ver 5.99.95 and new sharp version) on a Gd dataset that we had
> collected for lysozyme for educational purposes with RANTAN used to
> find sites.

The latest autoSHARP also has a SHELXC/D interface (which works very
well, although I'm still learning on setting the best parameters for
all cases ...). But RANTAN does a good job with fewish sites in a lot
of cases.

> Now we want to see if this also works with just manually input sites and
> SHARP inside ccp4i.

Should - but since the CCP4i gui is fairly new there might be still
some oversights from my side. So if you see anything else funny
happening please let me know.

> It is very nice to see sharp integrated with ccp4i in such a way.

Lucky you - you don't have to write these CCP4i guis in Tcl ... brrrr!

Cheers

Clemens

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