-------Using NIST Search with HP Windows
Software------------
NIST as Default Search: One approach is to employ the NIST search as the
default search within the HP software. Thus when you "double-right-click"
your HP spectrum window (see example), the
program will search the NIST (see
example) instead of the standard PBM search. This is our preferred
approach
because the NIST search is much better than the HP PBM search. In addition,
the NIST approach properly searches multiple libraries while the HP PBM
search does not.
In the HP software, there are many different ways to use the NIST search
with the
the HP software. You can exclusively
use the NIST search or Switch between the
NIST and HP PBM search. However,
personally I find the PBM search not to
work as well as the NIST search and it doesn’t search multiple libraries
correctly!
Exclusive Use of NIST Search with HP Software: In this approach, you replace
the macro in the HP software that starts the HP PBM search. Download the
the Chemstation
Macros for V2.0, in particular the NistSrch.mac file. Rename it
libsrch.mac. Find the directory
\MSDchem\Msexe or \hpchem\Msexe. Rename
the
current libsrch.mac to libsrch_old.mac (just in case you want to reverse the
process).
Then copy the new libsrch.mac (the renamed NistSrch.mac) to either the
\MSDchem\Msexe or \hpchem\Msexe. Now
when you “double-right-click” the HP
software to do a search, you’ll do the NIST Version 2 search instead of the HP
PBM.
The user must have both the NIST search software and libraries in NIST format.
The HP libraries and structure files found in \Database are no longer needed!
In my humble opinion, you’ll find the searches to be better and you can now
properly search
multiple libraries! The same type of
approach can be used with the NIST Version 1.7 search,
just download Chemstation
Macros for V1.7.
I have written a user’s manual for the
NIST search software that offers some tips that I
have found useful in using the NIST software. In addition, the NIST software
includes
very good documentation (Ver20man.doc file).
Switch Between NIST and Two Types of HP Searches: The NIST also has
developed
many ways to choose between the NIST and HP searches (see
documentation and macros).
Thus you install the NIST search software and mass spectral database and leave
the HP database
on your system. There are actually two HP searches available. One is the
standard HP search
that will not properly search multiple databases. The other is a PBM
Multiple Search written
by Jon Moore at Eastman Chemical Company that will search up to three libraries
(20 results per each library searched) and sum the results. We have also
written some
basic documentation for the PBM multiple
Search_Macro.
I have also used a very crude approach that lets the user switch between the
NIST and PBM
searches. Use Winzip to create three self-extracting executables to keep on
your desktop.
All three need to download a file named libsrch file to C:\HPCHEM\Msese\
directory. Have
one of the Winzip executables named PBM search, another PBM Multiple Search,
and the other NIST search. The PBM executable would contain the libsrch from
HP,
the PMB Multiple executable ls.mac, and the NIST executable the libsrch
supplied on this
web page. You could run these executables to switch between the three searches.
Downloading Tips: Some information is in Acrobat Reader (pdf)
format.
Some browsers can read them directly if Adobe Acrobat is installed. If you want
to
save a document to your disk, "right click" instead of "double
clicking" with left
mouse button. This will allow you to "save target as" which will
write the file to
your disk. Either way, you will need Adobe Acrobat and/or WinZip. Links to
download
these programs are listed below:
Download Winzip Win95/WinNT version.
