Dear Bryan,
As Mark van Raaij pointed out you have complete
flexibility in specifying the images to be used in autoindexing or in
cell refinement.
However, the default behaviour is to use the first image and a second
image that is as close as possible to 90 degrees away
Hi Folks,
Before I try to write a new program, I thought I would check what I want to
do can't be done
I have many unmerged but scaled summed MTZ files from scala (output
unmerged) for which I would like to simply change the DNAME. I tried CAD,
but it complains about the multi-record nature
How about pointless? It seems to have a NAME keyword that does what you
want? Caveat: I have never tried this myself. You may have to do an
identity reindexing or similar.
You are right in your assessment of CAD and MTZUTILS. In principle, the
functionality should be in mtzutils, but I doubt that
Hi Martyn,
You were onto a winner there: for anyone who's interested the spell is:
pointless -c hklin split_SWEEP10.mtz hklout test.mtz eof
name project demo crystal demo dataset foo
eof
for example. However I have to admit that I ended up using SED :o)
Pointless is certainly a better idea
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REBATCH
On 3/18/2011 2:43 AM, Graeme Winter wrote:
Hi Folks,
Before I try to write a new program, I thought I would check what I
want to do can't be done
I have many unmerged but scaled summed MTZ files from scala (output
unmerged) for which I would like to simply change the DNAME. I
oops, I did that ... and I'd forgotten all about it ... simpler option than
pointless
m
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
James Holton
Sent: 18 March 2011 15:49
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] Data file
I think I would recommend Pointless as I I think ultimately Rebatch should
be obsoleted or deprecated. But it will do the job
Phil
oops, I did that ... and I'd forgotten all about it ... simpler option
than pointless
m
-Original Message-
From: CCP4 bulletin board
Hi all,
As part of its recent winter update, the Protein Data Bank in Europe (PDBe;
http://pdbe.org) introduced a new, chemistry-based module of its PDB archive
browser (a.k.a. PDBeXplore). It can be accessed at:
http://pdbe.org/compounds
As you may (or may not) know,
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