Re: [ccp4bb] Help with deleting reflections from an mtz file

2011-08-17 Thread ccp4
Thanks Clemens - I knew it should be possible! Documentation didnt exactly help.. Eleanor On Wed, 17 Aug 2011 19:20:21 +0100, Clemens Vonrhein wrote: > Dear Eleanore, > > Ooops - the ccp4bb rejects attachements with *.sh ending? Let's try it > again with *.sh.txt ... > > The attached script wo

Re: [ccp4bb] Help with deleting reflections from an mtz file

2011-08-17 Thread Clemens Vonrhein
Dear Eleanore, Ooops - the ccp4bb rejects attachements with *.sh ending? Let's try it again with *.sh.txt ... The attached script works for me - fantastic what one can do with SFTOOLS :-) Cheers Clemens On Wed, Aug 17, 2011 at 04:55:59PM +0100, Eleanor Dodson wrote: > There are 2 rogue reflect

Re: [ccp4bb] Help with deleting reflections from an mtz file

2011-08-17 Thread James Holton
I usually dump the whole file into text. Even wrote a little jiffy script for doing the converting back and forth: http://bl831.als.lbl.gov/~jamesh/pickup/mtz2txt Specifically, the "text version" of the MTZ file is actually an f2mtz script that will use itself as an input file to re-generate

Re: [ccp4bb] Help with deleting reflections from an mtz file

2011-08-17 Thread Christian Roth
Am Mittwoch 17 August 2011 17:55:59 schrieb Eleanor Dodson: > There are 2 rogue reflections in a data set I have here. How can I > eliminate them? > I thought sftools did this but i cant seem to get the syntax right. > Short of dumping the whole file, using an editor, then reconstructing it > I am

Re: [ccp4bb] Help with deleting reflections from an mtz file

2011-08-17 Thread Randy Read
Hi Eleanor, Depends on what makes them rogues. If, say, they have very large amplitudes then you could do something like: sftools read rogue.mtz select col 1 < 1 write norogue.mtz end Or if it's easier to select just the rogue reflections by some combination of "select" commands, you can

[ccp4bb] Help with deleting reflections from an mtz file

2011-08-17 Thread Eleanor Dodson
There are 2 rogue reflections in a data set I have here. How can I eliminate them? I thought sftools did this but i cant seem to get the syntax right. Short of dumping the whole file, using an editor, then reconstructing it I am stuck.. Eleanor