Dear Judit and Paul,
many thanks for your quick responses!
Am 19.01.2009 um 14:56 schrieb Paul Emsley:
Dirk Kostrewa wrote:
Hi Paul,
is there a way in Coot to center on a point (x,y,z)?
Yes.
schemey:
(set-rotation-centre x y z)
pythonic:
set_rotation_centre(x,y,z)
I believe you can spell centre (center?) center too.
But I believe that that is only the prologue to a more interesting
question: what do you want to do when you get there? And how to
script it...
Paul.
Not this time ;-) I just have a list of (x,y,z) with potential
additional sites for a heavy atom substructure but no coordinate file,
yet. So, I want to go through this list of (x,y,z) and decide at each
location against an isomorphous or anomalous difference density map,
whether this looks like an acceptable additional heavy atom site. Of
course, I could also take the difference map(s), do a peak search and
go through the output PDB, but here, I really wanted to go through the
(x,y,z) list.
Best regards,
Dirk.
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Dirk Kostrewa
Gene Center, A 5.07
Ludwig-Maximilians-University
Feodor-Lynen-Str. 25
81377 Munich
Germany
Phone: +49-89-2180-76845
Fax: +49-89-2180-76999
E-mail: [email protected]
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