Open Babel project on the web - interconversion of Molecular Structure files

[L. Cranswick]

The "Open Babel" project (for the interconversion of 
Molecular Structure files) has it's website at:

  http://openbabel.sourceforge.net/

 And CCP14 web Mirrors:

UK: http://www.ccp14.ac.uk/ccp/web-mirrors/open-babel/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/open-babel/
US: http://ccp14.semo.edu/ccp/web-mirrors/open-babel/
AU: http://ccp14.minerals.csiro.au/ccp/web-mirrors/open-babel/

"Open Babel is a project designed to pick up where Babel left off, as a 
cross-platform program and library designed to interconvert between 
many file formats used in molecular modeling and computational chemistry.

Features currently include:

   A huge variety of common chemical file formats, including 
      SDF, MOL2, PDB, SMILES, XYZ...
   Recognition of file type based on filename extension 
   SMARTS matcher 
   Flexible atom typer 
   Gasteiger partial charge calculation 
   Hydrogen addition and deletion 
   Automatic feature perception (rings, hybridization, aromaticity) 
   Multiple conformer storage within molecules 
   Command line interface development class 
   Bitvector class 
   Open-source/Free Software under the GNU General Public License 
   Cross platform (Windoze, SGI, DEC, Linux, Dreamcast...) "

-----

"Open Babel" Download:

  http://prdownloads.sourceforge.net/openbabel/

 At CCP14 web Mirrors:

UK: http://www.ccp14.ac.uk/ccp/web-mirrors/open-babel/openbabel/
CA: http://ccp14.sims.nrc.ca/ccp/web-mirrors/open-babel/openbabel/
US: http://ccp14.semo.edu/ccp/web-mirrors/open-babel/openbabel/
AU: http://ccp14.minerals.csiro.au/ccp/web-mirrors/open-babel/openbabel/

===============

Other traditional "Babel" sites include:

  http://www.eyesopen.com/babel.html
  ftp://ccl.osc.edu/pub/chemistry/software/

Linux RPMS
  ftp://laue.chem.ncsu.edu/pub/X-ray/babel/  

===============

There is a list of programs for crystal structure file interconversion
at:

  http://www.ccp14.ac.uk/

Mistakes and updates appreciated.

Lachlan.



-- 
-----------------------
Lachlan M. D. Cranswick

  1st Feb to 8th Feb - then 18th Feb to 17th March 2002
  CSIRO Division of Minerals
  PO Box 312, Clayton South,  Melbourne, Victoria, 
  Australia, 3169.  Tel:  (613)  9545-8802
                    Fax:  (613)  9562 8919

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Laboratory 
Postal Address: CCP14 - School of Crystallography,
                Birkbeck College,
                Malet Street, Bloomsbury,
                WC1E 7HX, London,  UK
Tel: (+44) 020 7631 6850   Fax: (+44) 020 7631 6803
E-mail: l.m.d.cranswick at dl.ac.uk    Room: B091
WWW: http://www.ccp14.ac.uk/