[AMBER-Developers] PTRAJ: File compression

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 11 Mar 2009 13:31:12 -0400

Hello All,

I have recently updated the way amber11 ptraj handles file
compression. File detection is now done first via hex signature, then
via filename extension. Also, support for zip files has been added
(via zip/unzip). I also fixed the bug where ptraj would segfault when
attempting to append to a bzipped or gzipped trajectory (note
appending to .zip files is not supported due to limitations of the zip
program itself), and various bugs where ptraj would segfault when an
output trajectory could not be opened. I am currently working on a
test case to ensure compression works properly; I would also
appreciate any feedback on broken stuff etc (all the current test
cases pass).

I am currently working on support for compressed netcdf files. Any other ideas?


Daniel R. Roe, Ph.D.
Research Chemist
National Institute of Standards and Technology
100 Bureau Drive, Stop 8443
Gaithersburg, MD 20899-8443
(301) 975-8741
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Received on Fri Mar 13 2009 - 01:12:13 PDT
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