Interesting, the fix should be pretty simple. Its most likely just a
formatting issue. PBSA is using dx format as well, so I'll have to check
and see if the same thing happens.
> I've encountered another "bug" in rism3d output:
>
> For very large dx files (mine has 100 million grid points) the number of
> data items can cause an overflow and return as ***'s.
>
> Example:
> object 1 class gridpositions counts 486 576 480
> origin -66.44735415 -107.07942550 -68.65183222
> delta 0.50000000 0 0
> delta 0 0.50000000 0
> delta 0 0 0.50000000
> object 2 class gridconnections counts 486 576 480
> object 3 class array type double rank 0 items ******** data follows
>
> Most programs (like VMD) seem to ignore this information, but I've been
> using the GridData python module and it has trouble. This is kind of the
> same situation as the class --> call typo that caused me trouble earlier.
>
> Obviously a quick word count command and some basic arithmetic solves the
> problem, but it'd be nice not to have to do this each time. A quick bug
> fix
> before the next release?
>
> Thanks,
> Brian
>
> --
> ================================ Current Address =======================
> Brian Radak : BioMaPS
> Institute for Quantitative Biology
> PhD candidate - York Research Group : Rutgers, The State
> University of New Jersey
> University of Minnesota - Twin Cities : Center for
> Integrative
> Proteomics Room 308
> Graduate Program in Chemical Physics : 174 Frelinghuysen Road,
> Department of Chemistry : Piscataway, NJ
> 08854-8066
> radak004.umn.edu :
> radakb.biomaps.rutgers.edu
> ====================================================================
> Sorry for the multiple e-mail addresses, just use the institute
> appropriate
> address.
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Received on Fri Mar 28 2014 - 00:00:03 PDT
