-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Dear George, people already explained in detail on ccp4bb why you should be cautious about what you are planning to do. That's certainly the reason why you are having trouble finding the right software tool for your purpose: Your approach may be wrong. If you still insist, you may have to program your own code. You find a simple example for how to calculate a CC of a model against a map in the function Molekel:mapCC in file 'molekel.cpp' of the source code of knuspr (http://shelx.uni-ac.gwdg.de/~tg/research/programs/knuspr/). Be reminded that the CC of a modified ligand calculated against the original map is quite meaningless. Cheers, Tim On 06/17/2014 08:22 PM, George Devaniranjan wrote:
Hi,
I am trying to use phenix and I was trying to do the following:
Take a PDB, generate a MTZ file using Calculate F (model) and lets call it
native.mtz
then change a few phi and psi values of the pdb (so its slightly different from the native), run Calculate F (model)
model.mtz
Now I tried to calculate the CC of the two MTZ using Calculate Map Correlation.
I get the following:
"Missing at least one map file or label"
What am I doing wrong?
Thank you, George
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- -- - -- Dr Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.12 (GNU/Linux) Comment: Using GnuPG with Icedove - http://www.enigmail.net/ iD8DBQFToUgXUxlJ7aRr7hoRAiycAKD/M1lxcaZ7nZmKitXTiJ59F9LjxQCgkKjg 89n80BF0XDX2GsbvtDBfCag= =QwMD -----END PGP SIGNATURE-----