INFORMATION ABOUT COMPUTATIONAL CHEMISTRY LIST (CCL). PLEASE... READ IT!
I. WHAT IS THE COMPUTATIONAL CHEMISTRY LIST (CCL) ?
The COMPUTATIONAL CHEMISTRY LIST (CCL) is an e-mail exploder which allows
computational chemistry researchers to exchange information and
experience. It was created to promote contact between researchers
involved in chemistry-related computation. This list is not restricted to
any particular chemistry software or methodology and anyone is welcome to
subscribe. It works on the principle,
"WHAT ANYBODY POSTS, EVERYBODY GETS." All posting to this list is
archived and available for downloading as described below.
The list of subscribers, however, will not be made available.
By subscribing to the list you agree to ADHERE TO the rules
outlined in this document.
Examples of topics for the list are:
- reports on bugs in chemistry software and possible work-
- new chemistry software announcements
- announcements of computational chemistry-related workshops
- new methods and techniques in computational chemistry
- questions and answers about solving computational chemistry
- programs and utilities
- information on the availability of particular software, data, etc.
- hardware-related issues relevant to the computational chemistry
- opinions about services and products
Examples of topics which SHOULD NOT appear on this list are:
- personal attacks
- topics unrelated to computational chemistry
- announcements of "vaporware"
- annoucements of job openings or CV's. These are handled off line
(see point V for more information).
- address inquiries (you can post address inquiry only when you
exhausted all other ways (i.e., looking up ACS Directory of
Chemistry Departments in your library, searching the archives
of CCL, using netfind, contacting CCL list coordinator: email@example.com,
contacting the Postmaster at the target machine)
Rules for commercial software announcements are described later in this
II. HOW TO SUBSCRIBE/UNSUBSCRIBE.
To subscribe (or to unsubscribe) to the Computational Chemistry List,
send a short e-mail message to CHEMISTRY-REQUEST@server.ccl.net
stating your name, affiliation and electronic mail address. You can
also send these directly to firstname.lastname@example.org or JKL@OHSTPY.BITNET. Please,
DO NOT SEND THESE MESSAGES TO EVERYBODY.
III. HOW TO POST TO THE COMPUTATIONAL CHEMISTRY LIST.
The list is uncensored, i.e. nobody screens the messages before they are
posted. The machine delivers them automatically. Before you post to the
list, be sure that your message is correct (use editor!) and ADHERES TO
THE RULES. Use lines shorter than 80 characters since many mailers
truncate longer lines. Remember that what you post will be received by
many people in many countries. However, do not feel overly paralyzed
about this. Communication is a two-way street. Be concise though.
Not everybody has superworkstations connected to a high-speed network.
However, do not be overly concise. If you have a question to the list,
describe your problem, and why you need it --- try to educate and be
educated. Also, summarize to the list the responses you got. We want
to know what you know.
The most important part of your posting is the "Subject:" field.
Your message will not be accepted by the list without it. The Subject:
should not be longer than 40 characters. People screen incoming e-mail
by the "Subject:" line, so make it clear.
If you are posting a long file (e.g. a program), please split it into
chunks which are smaller than 50 kBytes. Always identify part number and
total number of parts in the "Subject:" line (e.g. NiceDraw Part 2 of 5).
To post an article to the the list just send your electronic mail to
CHEMISTRY@ccl.net the way you normally do. It will be automatically
distributed to all subscribers.
If you are not sure that your post is successful, or if you have
problems or suggestions, contact us first at:
email@example.com or firstname.lastname@example.org or JKL@OHSTPY.BITNET.
We are here to help you.
IV. COMMERCIAL SOFTWARE ANNOUNCEMENTS.
Commercial Software - software that was sold to anyone for more than
the cost of handling and documentation (up to few hundreds dollars).
Commercial Posting - commercial software advertisements posted by the
people who develop or sell the software. Postings responding
to user questions, as well as bug reports, requests for comments, and
tips on efficient software use are not considered commercial
postings and are highly encouraged. Commercial software reviews or
evaluations conducted by people not associated with the software
vendor/developer are also encouraged.
Rules for Commercial Postings:
Short (25 lines or less) commercial postings are allowed.
They should include a straightforward "Subject:" line. Reposts
are not allowed unless new features/releases become available.
Please make them informative, since they are useless otherwise.
Announcements of "vaporware" (software that is not yet working
or available) are not allowed in any form.
You can submit commercial postings of any length to list owners
at email@example.com. It will be referenced in the
FAQ (Frequently Asked Questions) file and available in CCL archives.
List owners will make these available for automatic download
and will periodically post the index with such announcements.
V. EMPLOYMENT (POSITIONS OFFERED AND WANTED)
To limit traffic on the list to matters of general interest the
announcements of positions wanted and positions offered will be
handled off line. Simply, instead of sending them to
CHEMISTRY@SERVER.CCL.NET you will send them to
CHEMISTRY-REQUEST@SERVER.CCL.NET (or firstname.lastname@example.org or JKL@OHSTPY.BITNET).
I will be collecting these announcements in files: positions.wanted
and positions.offered which can be obtained
from our archives (see Part VI. ARCHIVES). The announcements can be any
length, but remember that people do not read lengthily essays. When
the offer is no longer current, please send me a request to remove it
from the archive (to email@example.com or firstname.lastname@example.org).
VI. ARCHIVES OF THE COMPUTATIONAL CHEMISTRY LIST.
You can retrieve index, previous postings, free software, documenents,
list of positions wanted and offered, and the help files through
electronic mail by sending a simple message to MAILSERV@server.ccl.net.
You can also ftp to the archives or use Gopher as described later.
The body of your message should consist of two lines:
In response, you will get the overview of available commands and the
information about additional information. The MAILSERV@server.ccl.net
allows to retrieve binary files, produce lisitings of archives,
directories, encoding, etc. The syntax resembles UNIX commands.
To retrieve this help file, index of archived messages, and jobs
available, you could use the following commands:
To obtain more information about the archives, send the following
requests to MAILSERV@server.ccl.net:
To retrieve a posting for a given date (e.g., Oct. 9, 1993) use:
The postings are organized in files named after the day of original
contribution in the format yy/mm/dd
The index and archives are updated automatically after each messasge.
Files are also available on anonymous ftp: ftp.ccl.net
(or 188.8.131.52). Here is how you get them using ftp:
ftp ftp.ccl.net (or ftp 184.108.40.206)
Password: your_e-mail_address (please !)
ftp> cd pub/chemistry
ftp> ls (to get the listing of all files which are there)
ftp> get README
ftp> cd instructions
ftp> get help
Of course, you need to know ftp to use it efficiently. Here are some
more popular commands:
ascii - set text mode (for text files only!)
binary - set binary mode (for binary files) - very important if you
retrieve compressed (*.Z) or tar files.
cd - change directory
get - get a file from the remote machine to your current directory
(no * allowed in the name)
glob - toggle (glob/noglob) the use of wildcard character (*) in
help - list commands of ftp
ls - list files in the current directory
mget - get all files fitting the pattern (* allowed)
prompt - toggle asking (yes/no) for each file in mget command
pwd - tells in which diretory you are now
quit, bye - end the ftp session
For example, to get a file with messages posted between June 20 and 29
of 1992 you would do:
ftp ftp.ccl.net (or ftp 220.127.116.11)
Password: your_e-mail_address (please !)
ftp> cd pub/chemistry
ftp> cd archived-messages/92/06 (all files for June 92 reside there)
ftp> ascii (messages are text files)
ftp> glob (you do not want to be asked for each file)
ftp> mget 2* (will get 20, 21, ... 29)
ftp> quit (bye, bye... ftp)
The archives are also available on Gopher. They are located at
ftp.ccl.net If you type:
you will be connected to the OSC Gopher manu. You can then choose the
OSC Chemistry Gopher Server and you will be placed in the top directory
of the CCL archives. You can also go directly to the CCL archives by
using port 73:
gopher ftp.ccl.net 73
The Gopher is a good way to scan the previous messages, since the
Subject lines are displayed in the menu. At some point, we will allow
searching the messages by keywords withing Gopher.
VII. SEARCHING THE FILES IN THE ARCHIVES BY KEYWORDS
The archives can be searched by keywords, regular expressions, etc.
Since the syntax of the search queries is complex (though not difficult),
the search procedures are described in a separate file: help.search.
You can retrieve a file help.search via anonymous ftp on
ftp.ccl.net from directory pub/chemistry/instructions
or by sending a message:
We encourage you to perform the search before you post to the list.
Many times the questions were already answered on the list, and
posting them over and over again makes some people angry.
The list is organized as a service to computational chemistry researchers
and is not aimed at monetary gains of lawyers. By posting to this list
you agree that the content represents your personal opinion. In no event
should Ohio Supercomputer Center (OSC) be liable for the opinions or
materials posted. The OSC is not reviewing the materials submitted to
this list and cannot stop their distribution. The software and messages
distributed by the Computational Chemistry List come without any warranty.
They may be perfect or totally wrong, and if you decide to use it, you do
it on your own risk.
David J. Heisterberg (email@example.com, DJH@OHSTPY.BITNET, ph. 614-292-6036)
Jan K. Labanowski (firstname.lastname@example.org, JKL@OHSTPY.BITNET, ph. 614-292-9279)
Ohio Supercomputer Center
1224 Kinnear Rd
Columbus, OH 43212-1163