CAOS/CAMM Center - Dutch Expertise Center for Computer Assisted Chemistry _A_d_d_r_e_s_s: CAOS/CAMM Center Faculty of Science University of Nijmegen Toernooiveld 6525 ED NIJMEGEN, The Netherlands _E_m_a_i_l: post@caos.caos.kun.nl _P_h_o_n_e: +31 80 653386 FAX: +31 80 652977 _D_e_s_c_r_i_p_t_i_o_n The CAOS/CAMM Center is the Dutch National Expertise center for Computer Assisted Chemistry, funded by the Dutch National Science Foundation NWO. It is an Academic Institu- tion and it offers chemists an elaborate package of software tools, for remote use on a "central" computer system. The emphasis is on easy accessibility, achieved by the application of menu controlled front-ends and interfaces and on integration of the various tools and data bases. An exam- ple of the latter is the interconversion of molecular struc- ture files between structural databases, modeling software and computational chemistry programs. All available tools are presented to the user in a hierarchy of simple menus, where the tools are arranged according to their application. The Center supports its users through a combination of on- line Help facilities, practical courses and the (re)production of manuals. E-mail facilities, NEWS and Con- ferencing systems are used to improve the exchange of infor- mation and experience among the users, including the Center's picstaff. All tools and programs are arranged in packages, covering four major chemical areas: _________________________ The information in this section is provided in accor- dance with the copyright notice appearing at the front of this guide. September 7, 1992 NNSC Section M.9, Page 1 A: CAOS (Computer Assisted Organic Synthesis) Available tools are Reaction Retrieval Systems and Fine directories and Synthesis Planning programs. B: CAMM (Computer Assisted Molecular Modeling) Available tools are 3-D Structural data bases and a variety of modeling programs. C: CompChem (Computational Chemistry) Available tools are Advanced modeling programs, visu- alization tools, the quantum chemistry literature database and computational tools for both Molecular Mechanics/Dynamics and Quantum Chemical calculations. D: Area CAMMSA (Computer Assisted Macromolecular Sequence Analysis; BioInformatics) Available tools are all major nucleic acid and pro- tein sequence data bases and programs for data base query and retrieval, homology searching, protein analysis, nucleic acid analysis, alignment and phylo- geny construction. Expert help is available on each of the systems supported by the Center. All data bases supported by the Center are updated on a daily, weekly, monthly or quarterly basis, dependent on the rate with which new material is being pro- duced and available. User interaction with the tools sup- plied is fully structure oriented whenever applicable, i.e. most input is by means of structural formulas to be drawn on the screen and output is structure oriented where appropri- ate. It is the Center's policy to provide users with all documen- tation that is available with a program or data base, and to complement this information with on-line Help, with extra manual and "introductions" where necessary and with document files in a central document directory from which all material can be down loaded. _N_e_t_w_o_r_k _A_c_c_e_s_s Access to the Center is possible in many different ways. The route to be chosen will depend on a user's local situation. Many routes connect to the Center's terminal servers which will distribute incoming calls over the available resources. 1. DECnet. Only possible if you are setting up the con- nection from a local VAX in The Netherlands. September 7, 1992 NNSC Section M.9, Page 2 Use the command SET HOST CAOS 2. TCP/IP Available if your local machine has access to Internet. (In principle world wide). Use the command TELNET caos1.caos.kun.nl(131.174.82.227) or caos2.caos.kun.nl(131.174.82.228) 3. X.25 In principal available world wide when you have access to an X.25 packet switching net- work. "Dial" number (0)204 18802008099 or if you are in Europe and have access to the IXI backbone (0)204 3044008699. This connection is slower than routes 1 and 2 because they use a 9.6 kb PAD. On response from the PAD answer with a to connect to a termi- nal server which will prompt with . Type C(onnect) CAOS in response to be con- nected to one of the Center's nodes. _W_h_o _C_a_n _U_s_e _T_h_e _R_e_s_o_u_r_c_e Use of the Center's resources is open for all chemists employed by Dutch Chemical Research institutions, and as far as the Center's resources allow, for users outside Holland. Currently sufficient resources available. Access is only possible at a subscription basis. Requests for a Userid and a Password should be mailed to the above e-mail address. A subscription includes: o+ a maximum of 2 simultaneous interactive processes o+ free use of all CAOS/CAMM utilities for e-mail, NEWS bulletin boards, downloading, plotting, etc. o+ 10 MB free disk space (additional space will cost Hfl. 500,- per 5 MB/year). o+ NO additional charges (i.e. free CPU use etc.) Current subscription rates are: September 7, 1992 NNSC Section M.9, Page 3 Hfl. 1500/year for each of the packages A,B and C mentioned above. Hfl. 2250/year for package D. A reduction is applied for combinations of packages; Hfl. 2625/year for any two packages and Hfl. 3000 for more than 2. For accounts opened after July 1st., the charge will be 50% of the yearly fee. Subscriptions are automatically renewed for another year, unless the Center receives written (e-mail) notice of can- cellation before November 1st. All prices quoted above refer to Academic accounts in The Netherlands. Not-for-profit organizations pay a surcharge of 25%, as do Academic Institutions abroad. For commercial companies, individual licenses have to be negotiated on the basis of each software tool requested. _M_i_s_c_e_l_l_a_n_e_o_u_s Short (1 week) trial accounts may be granted on request, at the Center's discretion. E-mail requests to the address above. _R_e_f_e_r_e_n_c_e_s GOPHER access to Service description at camms1.caos.kun.nl(131.174.82.237) September 7, 1992 NNSC Section M.9, Page 4