VMD-L Mailing List
From: Rob (spamrefuse_at_yahoo.com)
Date: Wed Jun 17 2009 - 10:59:23 CDT
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Axel Kohlmeyer wrote:
>
> in .dcd files the first record is exactly 84 bytes and the first entry
> is a string 'CORD', so the first 4 or 8
bytes should be the integer
> number 84 followed by 'C' 'O' 'R' 'D'.
if you look at a binary file
> in a hex viewer, you can check it out
I compile ABINIT on my Fedora 10 and 11 Linux system with
GCC 4.3.2.
The ABINIT binary data files appear with an undocumented tag at
the start of the file; this tag depends on the endianness and the
record length.
With a record length 4 (or 8), it has a 4 (or 8) bytes tag, as follows:
Little-endian / 4 : 0e 00 00 00
Little-endian / 8 : 0e 00 00 00 00 00 00 00
Big-endian / 4 : 00 00 00 0e
Big-endian / 8 : 00 00 00 00 00 00 00 0e
I can use these tags to set the endianness and record length of
the binary data file, and then read the binary data accordingly.
However, so far I have only generated binary data files on my
Linux system. I have no idea how generic these tags are.
How machine dependent would my code be if I rely on these
tags.....??What would you guess?
I myself don't yet have other architectures to test it on.
Rob.
- Next message: John Stone: "Re: Re: ABINIT plugin ready for testing: can read GEO and DEN files."
- Previous message: poker_at_physics.usyd.edu.au: "Wrong coordinates using guesscoord in psfgen - lipids"
- Maybe in reply to: Rob: "ABINIT plugin ready for testing: can read GEO and DEN files."
- Next in thread: John Stone: "Re: Re: ABINIT plugin ready for testing: can read GEO and DEN files."
- Reply: John Stone: "Re: Re: ABINIT plugin ready for testing: can read GEO and DEN files."
- Reply: Axel Kohlmeyer: "Re: Re: ABINIT plugin ready for testing: can read GEO and DEN files."
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