[gmx-developers] XML files

David van der Spoel spoel at xray.bmc.uu.se
Thu Mar 21 18:15:07 CET 2002

On Thu, 21 Mar 2002, Paul van Maaren wrote:

>On Thu, 21 Mar 2002, David van der Spoel wrote:
>> I have started working on the GROMACS XML files again. I can now generate
>> a subset of the tpx file in XML from grompp. Before I implement it all I
>> would like to ask youto have a look at the gromacs.dtd (Data Type
>> Description) file in your local share/top directory, and let me know if
>> things are utterly wrong...
>If I understand the dtd correctly, it follows closely the .mdp and 
>.top formats. Is it maybe an idea to look if it is possible to use CML as 
>the basis?
I did look at cml (www.xml-cml.org), but it doesn't have mych useful
stuff. There also exists a molecular dynamics XML DTD, but that is for

Groeten, David.
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel

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