maps in X-plor 3.8

Axel T. Brunger brunger at LAPLACE.CSB.YALE.EDU
Thu Sep 26 15:21:48 EST 1996


Dave,

   The grid calculation has changed somewhat which explains your first
problem.

   The second problem sounds like a real bug which I must have
introduced.
(the X-PLOR code for computing maps has completely changed and is now
much more memory efficient).  I didn't notice the problem since the
mapman 
and mappage conversion programs for O stop reading after the -9999. 
I'll try to fix this as soon as possible.  In the meantime, I would
suggest to edit the map file and remove the erroneous line.

   Axel Brunger



Dave Schuller wrote:
> 
> greetings,
> 
> we still have X-plor version 3.80.  We notice that map generation is somewhat
> different from 3.1, despite the promises of complete compatibility.
> 
> 1) while trying to generate a small map for testing we find that slightly
> different map grid regions are generated when either specifying coverage
> of a set of residues, or when specifying the map limits in Angstroms.
> This is not creating any serious problems for us; I assume there was a bug
> fix at some time.  It just complicated debugging of the next point.
> 
> 2) The map format seems to have changed.  Formerly the last line of the file
> read: "-9999".  Now this line is followed by an additional line containing
> 2 numbers; e.g.:
>   0.1488E-11   0.1524E-01
> 
> This does create a problem for us, because program Setor, a fine and highly
> reccomended viewing program, is unable to read the altered format.
> Does this line contain scaling information or what?
> 
> and where can I read about
> the change in format?  Is documentation for the new version available either
> on-line or somewhere in the ftp distribution?  I picked up the regular
> distribution, but not the complete (and huge) tutorial file.  The only thing I
> could find was a directory /tutorial/manual which contained some .tex and .aux
> files; nothing in any format I could read.
> 
> thanks,
> =======================================================================
>            "Monotheism proved as deadly a foe of learning
>             as war and barbarism"   - L. Sprague de Camp
> =======================================================================
>                         Dave Schuller
>                         modern man in a post-modern world
>                         University of California-Irvine
>                         schuller at uci.edu

-- 
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| Axel T. Brunger          Dept. Molecular Biophysics and Biochemistry|
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