Lovely Profs. Greg,
That is, in rough manner, what I was looking for.
A couple of suggestions if I am allowed:
1. The name is misleading - it should be
DatabaseCartridgeReferenceDocumentation (when you see ReferenceDocumentation
you think it is the main RDkit C++ classes)
2. There might be an error in
http://code.google.com/p/rdkit/wiki/DatabaseCreation2 - explicitly in
this line emolecules=# create index mfp2idx on fps using gist(mfp2); The
column used to build the index (i.e. *mfp2*) is never defined before,
following the example I think you mean *morganbv* there.
Thanks
JP
On 8 March 2011 04:06, Greg Landrum <greg.land...@gmail.com> wrote:
> Dear Jean-Paul,
>
> On Mon, Mar 7, 2011 at 6:12 PM, JP <jeanpaul.ebe...@inhibox.com> wrote:
> >
> > I was wondering where can I find some RDKit documentation regarding the
> > database cartridge functions: atompairbv_fp(m), torsionbv_fp(m),
> > morganbv_fp(m,2) (difference between these etc.)
> > Also I would like to read about the overloaded operators and their
> > semantics...
> > I've had a look at the wiki pages of course - (that is all I could find
> re:
> > the database cartridge).
> > Any pointers?
>
> The only real documentation that there is for the cartridge at the
> moment is those wiki pages.
> I will start adding some reference documentation to this page :
> http://code.google.com/p/rdkit/wiki/ReferenceDocumentation
>
> Best Regards,
> -greg
>
--
Jean-Paul Ebejer
Early Stage Researcher
InhibOx Ltd
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