I hacked up a little program to do composite omit maps a couple of years
back. The purpose of the program was to try out an idea I had - an
ML-omit map based on real space restraints on the rest of the density,
using the same mathematics as is used for statistical density
modification. This turned out to have no benefit that I could identify.
However the code also implements simple and sigmaa omit maps for
comparison. Using the new version of clipper (either 2.0.9 in CCP4 6.1,
or 2.1) it could also be easily updated to produce MLHL composite omit
maps to incorporate experimental phase information.
If anyone wants to pick it up and develop it further, please feel free.
I'd be particularly interested if anyone can find a case where the
'pirate' omit map gives any significant benefit.
http://www.ysbl.york.ac.uk/~cowtan/ftp/brigantine-src.tgz
Kevin
Roberto Steiner wrote:
There used to be a program called OMIT in CCP4. Seems to be still supported.
I believe I used it years ago but I vaguely remember problems with some
space groups (might be wrong though...)
Regards,
Roberto
On 11 Dec 2008, at 16:20, rajan sreekanth wrote:
Hi
What about the SFcheck omit map calculation in 'Map and Mask
utilities' module in CCP4?
R.Sreekanth
On Wed, 10 Dec 2008 Kathleen Frey wrote :
>Hi Everyone,
>
>Can anyone tell me a relatively easy way to generate an omit density
map for
>a ligand? I know that CNS can do this, but I was wondering if there's
a CCP4
>related program to generate omit maps.
>
>Thanks,
>Kathleen
---
Roberto Steiner
Randall Division of Cell and Molecular Biophysics
New Hunt's House
King's College London
Guy's Campus
London, SE1 1UL
Phone +44 (0)20-7848-8216
Fax +44 (0)20-7848-6435
e-mail roberto.stei...@kcl.ac.uk <mailto:roberto.stei...@kcl.ac.uk>
