Welcome to the Computational Chemistry List
1. What Is The Computational Chemistry List?
The Computational Chemistry List (CCL) is an e-mail exploder which allows computational chemistry researchers from around the world to exchange information and experiences. 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; anyone is welcome to subscribe.
The Computational Chemistry List is based on a simple principle: "What anybody posts, everybody gets." All postings to this list are archived and available for downloading as described in Section 6. (However, the list of subscribers will not be made available.) By subscribing to the list, you agree to adhere to the rules outlined in this document.
Topics which may appear on the list include:
Topics which may not appear on this list include:
Rules for commercial software announcements are described in Section 4.
2. How To Subscribe Or Unsubscribe
To subscribe (or unsubscribe) to the Computational Chemistry List,
send a short e-mail message to
stating your name, affiliation and e-mail address. You may
also send these directly to
3. How To Post To The Computational Chemistry List
The list is uncensored; nobody screens the messages before they are posted. Before you post to the list, be sure that your message is correct 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 throughout the world. Be concise-- not everybody has superworkstations connected to a high-speed network. Try to educate and be educated. In particular, if you ask a question, you should send a summary of the responses to the list, thus allowing others to learn along with you.
The most important part of your posting is the
If you want to post a LONGER FILE, please, DO NOT!!! Some people check e-mail on slower modems, often at home in the evening, so please be considerate. Send your longer file to the administrator instead. It will be placed in the archives, and you only need to post a pointer and a description. The subscribers can download it from archives by all possible mechanisms (e-mail included).
To post an article/message/question to the whole list, send it to firstname.lastname@example.org. It will be distributed automatically to all subscribers.
As a courtesy to the other subscribers, it is a good idea to include your name and e-mail address at the end of your message so that people may contact you directly. The e-mail address in the message header can sometimes be mangled en route to the other subscribers; including it manually or in your signature file will ensure that others have your proper e-mail address. (On the other hand, try to keep your signature down to three or four lines; more than that wastes bandwidth.)
If you are not sure that your post is successful, or if you have
problems or suggestions, contact us at
4. Commercial Software Announcements
"Commercial software" is defined as any software that was sold to anyone for more than the cost of handling and documentation. A "commercial post" is defined as commercial software advertisements posted by the people who develop or sell the software. Posts 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 or posted by people not associated with the software vendor/developer are also encouraged.
Those wishing to submit commercial posts to the list must abide by the following rules. 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. Announcements of "vaporware" (software that is not yet working or available), and invitations to expositions and trade shows at meetings are not allowed.
5. Employment Opportunities
To limit traffic on the list to matters of general interest,
announcements concerning employment opportunities (i.e. resumes, job
offerings, etc.) are
handled off line. Posts concerning employment opportunities should be
6. Archives Of The Computational Chemistry List
Access Through Email
You can retrieve previous postings, free software, documents,
help files and more by using e-mail. To learn how, send the message
described below to
help chemistry helpYou will receive an overview of available commands and instructions for retrieving additional information. The
select chemistry ls cd instructions ls get help cd ../indexes get index cd ../jobs get positions.offered quit
To obtain more information about the archives, send the following message to MAILSERV@server.ccl.net:
select chemistry get README quit
To retrieve a file containg all CCL posts made on a given date (e.g., Oct. 9, 1993), send:
select chemistry cd archived-messages get 93/10/09 quit
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 message.
The archives can be searched by keywords, regular expressions, etc. Since the syntax of the search queries is complex, the search procedures are described in a separate file, help.search. You can retrieve this file via anonymous ftp on ftp.ccl.net from the directory pub/chemistry/instructions or by sending the message:
If you have a question which you want to send to the list, you should perform a search on the topic before posting. Your question may have been answered on the list before; by searching first, you can save time and bandwidth by seeing if the answer is already in the archives.
Files are also available on anonymous ftp from ftp.ccl.net (or 220.127.116.11). Here is how you get them using ftp:
ftp ftp.ccl.net (or ftp 18.104.22.168) Name: anonymous Password: your_e-mail_address (please !) ftp> cd pub/chemistry ftp> ls (to get a listing of all files which are there) ftp> get README ftp> cd instructions ftp> get help ftp> quit
Here is a list of popular ftp commands:
For example, to get a file with messages posted between June 20 and 29 of 1992 you would type:
ftp ftp.ccl.net (or ftp 22.214.171.124) Name: anonymous 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... ccl)
The archives are also available on Gopher from ftp.ccl.net. To connect to the OSC Gopher server, type:
You can then choose the OSC Chemistry Gopher Server. You will be placed in the top directory of the CCL archives. If you wish, you may also go directly to the CCL archives by using port 70:
Gopher provides a useful way to scan the previous messages, since the subject lines are displayed in the menu. At some point, we will provide keyword searches within Gopher.
7. CCL On The World Wide WebThe CCL now has a World Wide Web home page located at /chemistry.html. The archives can be accessed from that page, or directly by going to /ccl-old/cca.html. There is a forms-based search engine at /ccl-old/search.html. Currently, the search engine only implements searches for a single regular expression-- there is no provision for tying two or more together with a logical expression. However, it can be used for simple searches, and more functionality will be added in the near future.
The list is provided as is to computational chemistry researchers. It is provided with the intention of helping computational chemists, not making rich lawyers richer. By posting to this list you agree that the content represents your personal opinion. In no event will The Ohio Supercomputer Center (OSC), its employees and affiliates, or the list administrators be liable for the opinions or materials posted. 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. If you decide to use them, you do so at your own risk.
9. List Administrators
Jan K. Labanowski email@example.com or<Return to top of page>
10. About This Helpfile
This helpfile was originally written by Jan K. Labanowski. It was revamped and converted to HTML by Alan Chalker. Plaintext copies of the original helpfile and the revised helpfile are both available.
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