traanslations are essentially fractional shifts relative to the new cell
- (ie they are recorded in the mtz file. )
So you need to be sure that the CELL IS reset..
I thought this did happen when you had a script?
pdbset xyzin old.pdb xyzout new.pdb
cell newcell
rotat ...
shift frac tx ty tz
Eleanor
Sudharsan Sridharan wrote:
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(sorry again ! i should have posted the soln i found to my problem
instead of just only saying i found the soln to my problem!)
i applied the rots and trans using the pdbset gui in ccp4.
the original pdb file i wanted to apply the transformations to had the
cryst card. and when i use this file the program seems to use the unit
cell info from the cryst card evn if you ask it to use the cell dims
from the mtz you supply! i removed the cryst card (along with all the
header) from thid pdb file and ran th program again asking it to use
the unit cell from the mtz i supplied. and i get the right
transformations! this i know as i verifed with the file and rots and
trans from a phaser job that has output a soln.
so now am i looking at a problem with the pdbset
gui ? that is why is the gui using the cryst card info even if i ask
it use cell info from the mtz i supply ???
(or is it the default to use the cryst card even if you supply an mtz
?? if this is the case then why the option at all ?) or am i missing
something completely ??
On 10/11/06, Sudharsan Sridharan <[EMAIL PROTECTED]> wrote:
sorry all. found what i was doing wrong just a few minutes after i
posted the question!!!
thanks,
Sid
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