[Chimera-users] DCD format error 1

[Eric Pettersen]

Hi Lilian,
	It means that your DCD file doesn't start with the proper "magic  
number" that all valid DCD files are supposed to contain.  Perhaps if  
you sent me your trajectory files (directly, not via the list!) I  
could provide more useful information.  If they are too big for email,  
you could FTP them to one of our servers.  Let me know if you need/ 
want to do that.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu

On Apr 23, 2010, at 1:37 AM, Lilian OLIVIERI wrote:

> Hello,
>
> I'm having trouble using MD/Ensemble analysis tool.
> When I try to check a MD trajectory generated by CHARMM (version  
> C33b1), I
> get a "DCD format error 1" message.
>
> Here is the Reply Log:
>
> MDTools 1.2 Exp (2005-08-20) by James Phillips.
> Trajectory.DCD.MDToolsMarch97.md.help() for more info.
> - HomoCoord 1.3 Exp (2005-08-20)
> - Constants 1.1 Exp (2004-05-17)
> - AtomGroup 1.4 Exp (2007-02-07)
> - local 1.1 Exp (2004-05-17)
> Unknown OSTYPE ??? set.  Viewing and plotting are disabled.
> - Trans 1.2 Exp (2005-08-20)
> - DCD 1.10 Exp (2007-02-07)
> - Data 1.2 Exp (2005-08-20)
> * THIS FILE IS LANGEVINEEF1.INP.
> * USAGE, CHARMM <LANGEVINEEF1.INP >LANGEVINEEF1.OUT.
> * RUNS LANGEVIN DYNAMICS WITH EEF1 IMPLICIT WATER.
> *  DATE:     3/22/10     10:32:48      CREATED BY USER: lolivier
> /labos/lbgm/lolivier/chimera/share/Trajectory/DCD/MDToolsMarch97/ 
> md_DCD.py:121:
> DeprecationWarning: raising a string exception is deprecated
>  raise "DCD format error 1"
> Traceback (most recent call last):
>  File "CHIMERA/lib/python2.5/site-packages/Pmw/Pmw_1_3/lib/ 
> PmwBase.py",
> line 1747, in __call__
>  File "CHIMERA/share/chimera/baseDialog.py", line 328, in command
>  File "CHIMERA/share/chimera/baseDialog.py", line 543, in OK
>  File "CHIMERA/share/Trajectory/EnsembleLoader.py", line 92, in Apply
>  File "CHIMERA/share/Trajectory/DCD/__init__.py", line 61, in  
> loadEnsemble
>  File "CHIMERA/share/Trajectory/DCD/__init__.py", line 71, in  
> loadEnsemble
>  File "CHIMERA/share/Trajectory/DCD/DCD.py", line 35, in __init__
>  File "CHIMERA/share/Trajectory/DCD/MDToolsMarch97/md_DCD.py", line  
> 121,
> in __init__
> DCD format error 1
> DCD format error 1
>
>  File "CHIMERA/share/Trajectory/DCD/MDToolsMarch97/md_DCD.py", line  
> 121,
> in __init__
>
> See reply log for Python traceback.
>
>
> Is there a quick way to fix this problem?
>
> Thanks for any reply.
>
>
>
> -- 
> Lilian Olivieri
> PhD student
>
> INSERM UMR-S 665,
> DSIMB/LBGM, Faculte des Sciences et Technologies
> Universite de La Reunion
> 15 Avenue René Cassin, BP 7151
> 97715 Saint Denis Messag Cedex 09
> La Réunion, France
>
> Tel: +33 262 938 227 (office)
> Fax: +33 262 938 237
>
>
> http://lbgm.univ-reunion.fr/
> http://www.dsimb.inserm.fr/
>
>
> ****************************************************************************
> It has long been an axiom of mine that the little things are  
> infinitely
> the most important.
>                             -- Sir Arthur Conan Doyle, "A Case of  
> Identity"
> ****************************************************************************
>
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>


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