Hi Richard,
Unfortunately, PyMOL will not do symmetry expansion. You could use ccp4s
mapmask to extend an existing map around a molecule. An example script
is below (BORDER is the number of angstroms around the input model to
calculate the new map)
mapmask \
XYZIN model.pdb \
MAPIN previous_map.map \
MAPOUT new_map.ccp4 \
<< eof
BORDER 5
end
eof
Jacob
Richard wrote:
I just loaded a CCP4-format density map and am having a little
trouble getting the map to cover the area of interest on the model.
The displayed map covers the entire unit cell, but the model I am
working with is located at the bottom corner with many of the atoms
spilling over into neighboring unit cells. When I try to generate an
isomesh around the residue of interest, nothing appears, because that
residue is not in the main unit cell. I suppose I could generate lots
of symmetry neighbors using symexp and delete the ones I don't want.
Would be better if the isomesh automatically applied symmetry when
extending outside the main unit cell. Perhaps I am overlooking some
controls. Is there a better way to solve this problem?
Richard Gillilan
MacCHESS
Cornell
-------------------------------------------------------------------------
Take Surveys. Earn Cash. Influence the Future of IT
Join SourceForge.net's Techsay panel and you'll get the chance to share your
opinions on IT & business topics through brief surveys -- and earn cash
http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV
_______________________________________________
PyMOL-users mailing list
PyMOL-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/pymol-users
