[ccp4bb]: ccp4 on windows is missing (at least) 2 functions How to do them?

[Sue Roberts <suer@email.arizona.edu>]

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Hello,

We are teaching a class this semester in which we'd like the students to
download coordinates and structure factors from the pdb, calculate a map, and
inspect the map. Some students will want to change things in the model (do
easy-type rebuilding.)

The computer lab they're using has windows NT machines. (Putting Linux on these
machines is, I've been told, not an option.)

I've been trying to work an example using CCP4 (CCP4i) and O on a NT machine,
but I'm running into two problems.

1) Conversion of the downloaded cif file to a mtz file. The CCP4 windows
distribution doesn't have cif2mtz (OK, the source code is there, but not the
binary.) CCP4 does run a cif2mtz server, so I guess we could point the students
at that server (there are only a dozen of 'em), but it'd be nice to be able to
do this on the lab machines. Has anyone compiled this program (does it work) and
have a binary to share?

2) Map format. We can use astex viewer for looking at the maps. We'd like to
also let the students who wish to do so play with O. Map conversion seems to be
a problem. O (NT) doesn't read binary CCP4 maps calculated on NT (O crashes).
CCP4i (windows) doesn't seem to write O maps (the mapman binary, like cif2mtz,
isn't there). (I'm hoping that O would read the NT calculated maps properly.)
The MAPMAN server at UPPSALA doesn't do this either. Am I out of luck on this
one?

Any other suggestions for a building program? AFAIK, xtalview isn't available
for windows. Am I wrong? When I last looked at Swiss PDB (Deep View) a year ago,
it had byte-swapping problems with maps calculated with CCP4 NT.

Sue

--------------------------
Sue Roberts
Dept. of Biochemistry & Molecular Biophysics,
University of Arizona
suer@u.arizona.edu (520) 621-8171