• From: "Rzepa, Henry" <h.rzepa@i...>
• To: xml-dev@i...
• Date: Thu, 22 Jul 1999 14:57:58 +0100

>I'm currently trying to write some Java based programs to get some chemistry
>structure file formats converted into cml. I was wondering if other had
>already done the same. Specifically any guassian 9x --> cml examples would
>be great to see.
>
>[Sorry if this is the wrong list, but cml is very related to xml]


Steve Zara here has written a Java based PDB to CML converter on

http://www.xml-cml.org/ 

where the Java source, and the  CML DTD etc will be available
from midnight tonite

I believe converters written  in Perl exist at the VSMS site at

http://www.vsms.nottingham.ac.uk/biodom/

we would greatly welcome any initiative to produce a  G94/98
converter.

Also on the  cards is a  MOPAC2000 converter (a little way off yet).

finally, Peter Murray-Rust wrote a batch of converters about  2
years ago which are in need of updating. More details of those on
request




Dr Henry Rzepa,  Dept. Chemistry,  Imperial College,  LONDON SW7 2AY;
mailto:rzepa@i...; Tel  (44) 171 594 5774; Fax: (44) 171 594 5804.
URL: http://www.ch.ic.ac.uk/rzepa/ 

xml-dev: A list for W3C XML Developers. To post, mailto:xml-dev@i...
Archived as: http://www.lists.ic.ac.uk/hypermail/xml-dev/ and on CD-ROM/ISBN 981-02-3594-1
To (un)subscribe, mailto:majordomo@i... the following message;
(un)subscribe xml-dev
To subscribe to the digests, mailto:majordomo@i... the following message;
subscribe xml-dev-digest
List coordinator, Henry Rzepa (mailto:rzepa@i...)

• References:
  • filters x --> cml
    • From: "Fulton CR (Charles)" <fultoncr@u...>

• Prev by Date: RE: Need Help in WIDL
• Next by Date: Re: EDI to XML?
• Previous by thread: filters x --> cml
• Next by thread: RE: filters x --> cml
• Index(es):
  • Date
  • Thread