|
On-Line Searching of the QCPE Database
The QCPE anonymous ftp site has now been enabled to handle TELNET access.
This is a useful capability as one is limited to downloading files only
when ftp access is used. With TELNET access it is possible to read the
contents of files. We are also adding a new capability which requires
TELNET access. It is now possible to carry out an on-line computer
search of the entirity of QCPE's holdings through the anonymous ftp account.
In this search system one is using keywords which are contained in
the titles of the programs in the database. And since UNIX is
case-sensitive one must remember that all words in titles start
with capital letters and that acronyms are in all upper case letters.
A quick example is the CNDO approximation. You would want to
submit 'CNDO' as a search parameter to get the entire list of such
programs which we hold.
Another aspect of this search process which is important is that
all search parameters which the program operates with are treated
as fragments. For example if one were to submit the pattern of
letters 'Pro' you would get hundreds of identified programs as
the word 'Program', which contains the pattern 'Pro', is often
found in the titles of programs.
A nice sample list will be generated if you submit the
pattern 'PPP' as a search parameter. It is also possible to
submit the QCPE number of a given program as a search parameter
if you happen to want the complete catalog entry for some
program which you already know a number for. This will also
yield information about the language in which the program
was written and the number of lines of code contained in the program.
To carry out a search simply do the following:
telnet qcpe6.chem.indiana.edu
login: anonymous
(There is no password)
When you have logged in give the command 'Catsrch'.
The search program will provide instructions as to
how to proceed.
Be certain that you log out when you are finished
or you will have a communication port tied up on
our computer.
If you do not find a program which you are searching
for please feel free to contact us at qcpe@indiana.edu
and ask about the program. As many programs which were
formerly restricted to use on a certain computer have
now been ported to unix-based computers please feel
free to ask about alternative versions.
Richard W. Counts
QCPE
|
