New features and Changes in HintLogP 3.06
HintLogP 3.06 (standalone) was compiled on several
This version of HintLogP was built from an all-new
library of HintLogP functionality that we have been developing over the
last 12-15 months. The new core algorithms are written in standard C in a toolkit
structure. This enables us to much more quickly develop new HintLogP applications
to respond to user needs, and also allows us to distribute to interested
customers the means to develop their own Hint and/orHintLogP applications. See the
LC Developers' Toolkits web page for more information.
Under Irix 6.5 using the -mips3 -n32 compiler directives.
Under Red Hat Linux 6.2 (also runs under Caldera
Linux, and probably other "flavors").
Under Windows2000 (also runs under 95, 98, ME and
Under Solaris (SunOS) 5.7.
Under Macintosh Mac OS X.2
The goal of this release of the HintLogP standalone
program was to streamline its design, usage and speed, and to drop anything
from the executable that was not meeting those goals.
The standalone HintLogP program is now linked to
the Daylight "smiles" toolkit and
"OElib" from OpenEye Scientific Software.
The former is the acknowledged standard for interpretation of the SMILES
format, but does require the purchase of a "smiles" run-time license from
Daylight. We can recommend licensing and use of the Daylight smiles license
without reservation. OElib is currently an "open source" library from OpenEye
and requires no further licensing. Our tests of OElib indicate that it
is a very robust structure interpreter. However, be advised that there may
be differences between OElib interpretations, and Daylight interpretations
of the same structure, particularly if that structure contains unstaurated
or aromatic heterocyles. For instance, many heterocyclic compounds can
be interpreted with multiple resonance structures, and the chemical "intuition"
of the structure interpreter can reflect these differences.
The options for running HintLogP are coded
in a simple "keyword" context, input into the program as a control file. See
for a description of the keywords and their meanings.
Operation of HintLogP for all platforms is now
through command line input: hintlogp <control file> <input datafile>
<output datafile>. See
Using HintLogP for more information.