Re: COMPCOMM: Background on Software Patents

[Lachlan Cranswick <l.m.d.cranswick@dl.ac.uk>]

>From me Vincent,

   We are going to work on a new proposition as requested on this list. 
Apart from the fact that the text is inadequate (and -although not in 
the draft itself- some parts were judged too agressive), it seems that 
it would be better to have a discussion over a bit of history, some 
definitions, laying down pros and cons about this. In Geneva it was 
decided to "do something about software patents", but we misinterpreted 
it by assuming members shared (possibly with various intensity) a same 
concern and awareness.

   So we're working on a longer text-for internal use-, stating the 
possible issues related to software patents and crystallography. 
Instead of giving a bunch of links (which nobody has the time to 
follow) like in the first email ("Compcomm: Draft : IUCr Computing 
Commis..."), we'll rather put a self-sufficient text with only 
optionnal links...

   From that (and other information that members of the commission will 
add), I guess we'll be able to restart discussion and decide on what to 
put in an "official policy", or "members statements", or not to put 
anything, if it turns out that way."


Though initially searching on crystallographic software patents 
is showing up interesting material.
Only a small fraction follow - but they are potentially very interesting and
given the software patents cover certain "ideas"in crystallography, could 
affect the legality of crystallographic programmers (existing and future)
doing programming in crystallography.

Presently building up a database on this at:
   http://www.ccp14.ac.uk/maths/software-patents/crystallography_patents.html

--------------------------------------

Some highlights:

US Patent 5,249,137

US Patent Title: Computer-aided chemical illustration system 

Date Assigned: September 28, 1993

Abstract: A computer-aided chemical illustration system is
disclosed. Techniques provided include: 1) efficient drawing of bonds;
2) drawing different bond types during a single mode; 3) determining
bisect angles for bonds; 4) labeling atoms on the fly; 5) automatic
alignment of atom labels; 6) custom alignment of atom labels; 7)
changing the type, style, or orientation of an object while it is being
drawn; 8) detection of ring structures; and 9) shifting bonds around on
a ring. 

-----------

US Patent Number: 5,200,910 
US Patent Title: Method for modelling the electron density of a crystal 

US Patent Number: 4,811,217
US Patent Title: Method of storing and searching chemical structure data 

WO Patent Number: WO9906824
Patent Title: Method and apparatus for determining molecular crystal 
    structures 

US Patent Number: 5,424,963
US Patent Title: Molecular dynamics simulation method and apparatus 

US Patent Number: 4,835,528
US Patent Title: Cursor control system 

US Patent Number: 6,438,205 
US Patent Title: System and method for reducing phase ambiguity of crystal 
                 structure factors 

US Patent Number: 6,438,204 
US Patent Title: Linear prediction of structure factors in x-ray 
        crystallography 

US Patent Number: 6,014,449
US Patent Title: Computer-implemented system for analyzing rigidity of   
                 substructures within a macromolecule 

US Patent Number: 4,991,191 
US Patent Title: Quantitative analysis of the active table ingredient by 
  powder x-ray diffractometry 

US Patent Number: 4,592,082 
US Patent Title: Quantitative determination of mineral composition by 
   powder X-ray diffraction 

US Patent Number: 6,192,103 
US Patent Title: Fitting of X-ray scattering data using evolutionary algorithms 

US Patent Number: 5,353,236 
US Patent Title: High-resolution crystallographic modelling of a macromolecule 

US Patent Number: 5,265,030
US Patent Title: System and method for determining three-dimensional 
   structures of proteins 

US Patent Number: 5,600,571
US Patent Title: Method for determining protein tertiary structure 


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

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
  Birkbeck University of London and Daresbury Synchrotron 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@dl.ac.uk   Room: B091
WWW: http://www.ccp14.ac.uk/