Improvements to version 4.61:

Partial (fragment) fingerprints.

Search semantics:

• Queries using the FPP<> screening have different semantics than normal SMARTS. The query must match within a single component.

  C.N has (C.N) semantics.

  C>>N has (C>>N) semantics, which never matches.

• Note that random libraries, discreet molecules, and reactions are handled consistantly.

One peripheral change:

• The lexical (ASCII) representation of binary data in a TDT changes for 4.61. Since comma is used as an n-tuple item separator, it can't be part of the output from "bin2ascii".

  Any binary TDTs generated in 4.61 use a '+' in the character set, rather than ','.

  Fortunately, all 4.51 and earlier binary TDTs work correctly on input.

An example TDT:

$SMI<"CCCN.C=O>>CCCN=C.O">
FPP<FO.E04EmWVU.2,.M+F22M0..U.2,....150vntVrw+g.5g1A1...1,
    .E+s4....6..2;test>
FP<..+s150vntVrw+gM5g9A1...1;2048;62;128;53;1>
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