Dear Robbie,

I use pdbset in scripts from time to time, mainly to generate symmetry equivalent copies. I use sftools on the command line more frequently, because it allows a lot of mathematical operations on data in mtz files. I also use sftools to produce lists of average data values against resolution (that I plot then with gnuplot). I can't recall having used coordconv at all.

Best regards,

Dirk.

On 8/26/21 12:29 PM, Robbie Joosten wrote:
Dear CCP4 users,

We (as in, the CCP4 developers) are investigating some (potentially) missing 
functionality in CCP4i2 and/or Cloud with respect to the programs pdbset, 
pdbcur, coordconv, and sftools. Some of these tools are quite old and may need 
to be replaced by other tools with similar functionality. Could you answer a 
few questions:

- Do you use any of these tools?
- If so, how often? (Few times a week, month, year, or less than once a year).
- Which functionality of program X do you use?
- Would you like a graphical interface to that functionality or are you happy 
to use the command line?

Personal example:
I use pdbset a few times a month, but only the "noise" function. I don't need a graphical 
interface for it (because it is used in the context of pdb-redo). I also use sftools, "reduce 
-> merge average" a few times a year. Again, only from the command line.


Feel free to send your answers directly to me or to the bulletin board if you 
want to start a discussion. Tips on alternative CCP4 tools to achieve similar 
effects are probably also interesting for other BB users.

Cheers,
Robbie


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Dirk Kostrewa
Gene Center Munich
Department of Biochemistry, AG Hopfner
Ludwig-Maximilians-Universität München
Feodor-Lynen-Str. 25
D-81377 Munich
Germany
Phone:  +49-89-2180-76845
Fax:    +49-89-2180-76998
E-mail: dirk.kostr...@lmu.de
        kostr...@genzentrum.lmu.de
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