i dont think you are tackling this problem in the simplest way.
as boaz suggests, you can use phaser to find several molecules, either
several copies of the same model, or first one type of model, then a
second. The CCP4 GUI interface guides you into how to do this, you input
ensemble1 ( first model) add ensemble 2 ( second model) - tell the
program how many copies of each you expect and it searches first for
one, then automatically generates its own properly weighted fo-fc SFs to
search for the second and so on.
MOLREP will do something similar..
but if you want personal control, CNS will have provided you with a set
of SFS including FO Fc and PHI as part of a run. You dont need to
recreate FO_FC coefficients from the map.
Using CCP4 you can convert the SFS list to the mtz format (look at
reflection utilities)
Maybe I misunderstand your problem?
Eleanor
xaravich ivan wrote:
Hi Vandu,
I would advise you to contact CNS guys instead of CCP4 bb in this case.
Although I know that many could tell you how to do it, its not a great idea
to use ccp4bb to ask question about other programs, when they have relevant
bulletin boards/user groups.
If you do not get a satisfactory answer, com back and we would be happy to
help.
Ivan
On Sat, Jul 24, 2010 at 11:42 PM, Vandu Murugan <wandumuru...@gmail.com>wrote:
Dear all,
With a fo-fc.coeff file, which came out after running model_map.inp
using cns 1.1, i like to do a fourier tranform and calculate the structure
factor. I need to run a MR with the resulting file. could some one tell me
how to do this FT with the available fo-fc coeff file. Thanks in advance
cheers,
Murugan
