MAPMAN contains several related options, e.g. CEll, SPacegroup, TRanslate and
GTranslate, PAste (see the manual for caveats -
http://xray.bmc.uu.se/usf/mapman_man.html ). Saving as an ASCII file and
editing may also work, if you know what you are doing.
--Gerard
On Tue, 20 May 2014, Edward A. Berry wrote:
But, if you convert to structure factors and recalculate the map in a
different cell,
the features will be "stretched" to fill the cell, which I take it is the
original problem.
I found Kleywegt's RAVE package very convenient for doing this,
but i believe the functionality is now available in
ccp4 mapmask and maprot programs.
The Phaser Wiki has a page with instructions
for cutting out electron density within a mask,
and putting it in a large P1 cell for use as a molecular
replacement model. Perhaps you could modify that to achieve
your aims.
http://www.phaser.cimr.cam.ac.uk/index.php/Using_Electron_Density_as_a_Model
eab
On 05/20/2014 03:07 AM, herman.schreu...@sanofi.com wrote:
Dear Niu,
Provided you have a complete asymmetric unit (unit cell in P1), you could
also convert this map to
structure factors and manipulate those, e.g. with sftools. To calculate
structure factors you could use
sfall and also clipper has utilities to convert a map to structure factors.
Best,
Herman
*Von:*CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag von
*Niu Tou
*Gesendet:* Montag, 19. Mai 2014 23:25
*An:* CCP4BB@JISCMAIL.AC.UK
*Betreff:* [ccp4bb] map manipulation questions
Dear All,
I have a ccp4 format map file in P1 spacegroup, I would like to manipulate
it in several ways:
1. enlarge the cell dimension . When I tried "CELL" keyword in MAPMAN, the
density scaled up together
with the cell dimension. Does anybody know how to do it without changing
the density?
2. Change the space group to P2.
3. Move the density away from its original place, i.e. apply a
translocation vector to it.
Does anybody know the answers? Thanks in advance!
Regards,
Niu
Best wishes,
--Gerard
******************************************************************
Gerard J. Kleywegt
http://xray.bmc.uu.se/gerard mailto:ger...@xray.bmc.uu.se
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Little known gastromathematical curiosity: let "z" be the
radius and "a" the thickness of a pizza. Then the volume
of that pizza is equal to pi*z*z*a !
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