Re: [ccp4bb] Data file wrangling question

2011-03-21 Thread Graeme Winter
Hi James, Indeed. I had not thought about that. I guess it would be helpful to have a list on a wiki page somewhere of task (i.e. changing dname for a file) and the list of tools that can do this. Perhaps when I get a quiet moment. Cheerio, Graeme On 18 March 2011 15:49, James Holton

Re: [ccp4bb] Data file wrangling question

2011-03-18 Thread Martyn Winn
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

Re: [ccp4bb] Data file wrangling question

2011-03-18 Thread Graeme Winter
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

Re: [ccp4bb] Data file wrangling question

2011-03-18 Thread James Holton
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

Re: [ccp4bb] Data file wrangling question

2011-03-18 Thread martyn . winn
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

Re: [ccp4bb] Data file wrangling question

2011-03-18 Thread Phil Evans
@JISCMAIL.AC.UK] On Behalf Of James Holton Sent: 18 March 2011 15:49 To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Data file wrangling question 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