Re: Binary conversions

From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Wed Dec 03 2003 - 15:08:17 CST

Hi,

The "flipbinpdb" program has nothing to do with PDB files. It simply
reverses the byte order (big endian vs little endian) for the binary
coordinate and velocity files produced by NAMD when "binaryOutput off" and
"binaryRestart off" are not specified. The flipbinpdb program is mostly
obsolete since both NAMD and VMD can now read these files regardless of
the byte order of the system they were written on.

-Jim

On Tue, 2 Dec 2003, Hua Wong wrote:

> I run a minimisation under NAMD and need the output data to be used under
> GROMACS.
>
> I tried using flipbinpdb on the different output files NAMD returned me.
> Either it says nothing but gives me no .pdb files, either it gives me
> error messages:
> Size of PROT_out.xsc is not 4 plus a multiple of 24 #for the .xsc type
> This program flips byte-ordering of 8-byte doubles #for when I try to
> suggest an .pdb output filename using :
> "flipbinpdb DARC_out.* DARC_out.pdb" *stands for coor or vel
>
> Is it my bin that have problems? Or is it the flipbinpdb module that write
> the output files somewhere else?
>
> Thanks
>
> Woong Hua
>
> --
> ----------------------------------------------------------
> | Wong Hua (Student) |
> | Equipe de Bioinformatique Genomique et Moleculaire |
> | INSERM U436 Universite ParisVII _____________________|
> | 2 place Jussieu case 7113 | Tel:None |
> | 75251 PARIS Cedex 05 | Fax:None |
> ----------------------------------------------------------
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