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[ccp4bb] AW: [ccp4bb] MTZ format conversion
 

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CCP4bb <-- 2007 <-- March 2007 <-- 05 March 2007
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Subject: Re: MTZ to Shel-X?
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-03-05 		Next message:
Subject: AW: MTZ format conversion
From: Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM
Date: 2007-03-05


Subject: AW: MTZ format conversion
From: Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM
Date: 2007-03-05
Dear Kevin and others,

Most important in my eyes is to have f2mtz
1) read hkl files in free format. There is no reason nowadays to have users specify a format statement which dates back to the time of the punch-cards.
2) parse CNS reflection files. The CNS labels could then be used as column labels in the mtz file. It should also swap the freeRflag. What is 0 in CNS is 1 in ccp4 and vice versa.
3) read XSCALE.HKL files from Kabsch's XDS package

On the output side, export to ShelX and CNS should cover most wishes.

Herman



-----Ursprüngliche Nachricht-----
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Kevin Cowtan
Gesendet: Montag, 5. März 2007 16:21
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] MTZ format conversion

On a more general note, having looked at mtz2various it looks a lot better than last time I used it, and the problem of keeping I's is a separate issue.

But we still get fairly regular format conversion questions on both this and the coot list. From memory, the most common questions concern conversion from CNS format into MTZ. (We've got code to make coot read CNS maps, which may solve this eventually, but it's not in coot yet).

Is that correct? Are there any other format conversions which still cause problems?

Kevin

CCP4bb navigation

CCP4bb <-- 2007 <-- March 2007 <-- 05 March 2007
Previous message:
Subject: Re: MTZ to Shel-X?
From: Martyn Winn m {- dot -} d {- dot -} winn {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-03-05 		Next message:
Subject: AW: MTZ format conversion
From: Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM Herman {- dot -} Schreuder {- at -} SANOFI-AVENTIS {- dot -} COM
Date: 2007-03-05


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